1 REGISTRY Dictionary. 2 Find Jasmonate-like compounds: Their effect, on paclitaxel and baccatin III production, in cultured cells from Taxus species.

11

REGISTRY DictionaryREGISTRY Dictionary

22

Find Jasmonate-like compounds:Find Jasmonate-like compounds:

Their effect, on Their effect, on paclitaxelpaclitaxel and and baccatin IIIbaccatin III production, in cultured cells from Taxus production, in cultured cells from Taxus species species

Skills Practice

OEt

Et

O

OZ

RR

33

-cyclopentane acetic acid esterscyclopentane acetic acid esters

-one chain double bondone chain double bond

- one ketone group on cyclopentane- one ketone group on cyclopentane

OEt

Et

O

OZ

RR

44

Run at least two searches by namesRun at least two searches by names

Compare the results and explain the Compare the results and explain the differencesdifferences

Run a comprehensive search by structureRun a comprehensive search by structure

Compare these results with the previous ones Compare these results with the previous ones and explain the differenceand explain the difference

In both cases look at the IDS compoundsIn both cases look at the IDS compounds

55

=> cyclopentaneacet?/hp(l)oxo(l)en? 7336 CYCLOPENTANEACET?/HP 3113676 OXO 57 OXOS 3113676 OXO (OXO OR OXOS) 5478318 EN?L2 781 CYCLOPENTANEACET?/HP(L)OXO(L)EN? => d scan

66

IN Cyclopentaneacetic acid, 3-oxo-2-(2E)-2-pentenyl-, methyl ester,

IN Cyclopentaneacetic acid, -(2-methylenehexylidene)-3-oxo-,

Et

OMeO

O

E

SS

Bu-n

OEtO

H2C

OE

77

=> cyclopentaneacetic acid/hp(l)(2 or 3 or 4 or 5)(10w)(?enyl/cns or en# or ?idene/cns)(l)(2 or 3 or 4 or 5)(w)oxo/cns

L1 974 CYCLOPENTANEACETIC ACID/HP. . . . . . . . .

88

=> (cyclopent?(l)acet?)/ins.nhp(l)(2 or 3 or 4 or 5)(10w)(?enyl/cns or en# or ?idene/cns)(l)(2 or 3 or 4 or 5)(w)oxo/cns

L2 1662 CYCLOPENT? . . . . . . . . . .

99

=> l1 not l2L3 956 L1 NOT L2 => d cn CN Cyclopentaneacetic acidCyclopentaneacetic acid, 2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl ester (9CI) (CA INDEX NAME)

=> l2 not l1L4 1644 L2 NOT L1 => d cn CN 1H-Imidazole-4-propanamide, -[(cyclopentylacetylcyclopentylacetyl)amino]-N- [(1R)-1-[(4-methoxyphenyl)methyl]-2-oxo-2-[4-(1-oxobutyl)-4-phenyl- 1-piperidinyl]ethyl]-, (S)- (9CI) (CA INDEX NAME)

=> l1 and l2L5 18 L1 AND L2 => d cn CN Cyclopentaneacetic acidCyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-, compd. with morpholine (1:1) (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Morpholine, (1R,2R)-3-oxo-2-(2Z)-2-pentenylcyclopentaneacetenylcyclopentaneacetate(9CI)

L6 L6 26182618 L1 OR L2 L1 OR L2

1010

=> l6 and ids/ci L7 6 L6 AND IDS/CI => d scan IN Cyclopentaneacetic acid, 1-carboxy-5-(p-methoxyphenyl)- 3-methyl-2-oxo-, methyl ester (7CI)MF C17 H20 O6CI IDSCI IDSCM 1

Me

MeO

CO2H

CO2H

CH2

O

CM 2 H3C OH

1111

IN Cyclopentaneacetic acid, 1-carboxy-5-(p-methoxyphenyl)- 3-methyl-2-oxo-, benzyl methyl ester (7CI)MF C24 H26 O6CI IDSCI IDS CM 1

Me

MeO

CO2H

CO2H

CH2

O

CM 2

PhCH2HO

CM 3

H3C OH

1212

IN Cyclopentaneacetic acid, 2(or 3)-ethylidene-4-oxo-, methyl ester (9CI)MF C10 H14 O3CI IDSCI IDS

OMeCH2 C

O

O

MeCHD2

1313

IN Cyclopentaneacetic acid, 4-oxo--(1-oxoheptyl)-2-(2- oxopropyl)-, ethyl ester, bis[(2,4-dinitrophenyl) hydrazone] (9CI)MF C31 H38 N8 O11CI IDSCI IDS CM 1

(CH2)5

EtO

Me

MeCH C

C O

O

CH2 C

OO

CM 2

NO2

O2N

NH NH2

1414

IN Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester,didehydro deriv., [1R-[1,2(Z)]]- (9CI)MF C13 H18 O3CI IDSCI IDS

Et

OMeO

O

Z

RR

1515

IN Cyclopentaneacetic acid, 3-oxo-2-(pentenyl)-, methyl ester (9CI)MF C13 H20 O3CI IDSCI IDS

(CH2)4

OMe

Me

CH2 C

O

O

1616

L8 STRUCTURE UPLOADED

O

O

O

1717

=> L8 STRUCTURE UPLOADED

=> l8 full L10 913 SEA SSS FUL L8

=> l10 not l6L11 256 L10 NOT L6 => d scan

1818

SiEt3t-Bu

OMe

MeO

Ph

Ph

O

H2C

O

HO

OO

O

OSi

R

R

R

IN Bicyclo[2.2.1]heptane-2-acetic acid, -[2-[[(1,1- dimethylethyl)diphenylsilyl]oxy]ethyl]-2-hydroxy-7-[1-[[(4- methoxyphenoxy)methoxy]methyl]ethenyl]-3-oxo-7-[(triethylsilyl)oxy]-, methyl ester, (1R,4R,7R)-rel- (9CI)

1919

IN Propanedioic acid, [2-(1-butenyl)-3-oxocyclopentyl]-, dimethyl ester, (Z)-(9CI)

Et

OMe

OMe

O

O

OZ

2020

=> l6 not l10L13 1961 L6 NOT L10 => d scan IN Cyclopentaneacetic acid, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- -(4-methyl-2-oxo-3-pentenyl)-, ethyl ester, (R,1R,2S)-rel- (9CI)

EtO

t-Bu

CMe2

Me

Me

OO

O

Si

HRR

S

2121

IN L-Threonine, N-[[(1S,2S)-3-oxo-2-[(2Z)-2-pentenyl] cyclopentyl]acetyl]-, methyl ester (9CI)

Et

Me

OMe

NH

O

O

O

OH

Z

SS

S R

2222

=> l10 or l6L14 2874 L10 OR L6 => paclitaxel/cn or baccatin III/cn 1 PACLITAXEL/CN 1 BACCATIN III/CNL15 2 PACLITAXEL/CN OR BACCATIN III/CN

AcO

AcO

MeMe

Me

Me

Ph

Ph

Ph

O

OOH

O OH

O

O

O

OH

NH

O H

HSR R

S

S

S

SR

SRS

AcO

AcO

MeMe

Me

Me

Ph

O

OOH

O OH

O

HO

H

HSR R

S

S

S

SR

S

2323

=> fil hcaplus

=> e taxus/ctE# FREQUENCY AT TERM-- --------- -- ----E1 0 2 TAXOTERE/CTE2 0 1 TAXREB67/CTE3 105 114 --> TAXUS/CT

=> e e3+all. . . . . . . . . . . . . . . E17 105 --> Taxus/CT. . . . . . . . . . . . . . . E126 61 NT1 Yew (Taxus yunnanensis)/CT********** END **********

2424

=> e17-126 L18 1931

=> l14 and l15/prep and l18 L19 50 L16 AND L17/PREP AND L18 => d hitstr

2525

IT 1211-29-6, Methyl jasmonate

Et

OMeO

O

Z

RR

2626

IT 33069-62-4P, Paclitaxel RL: PREP (Preparation)

AcO

AcO

MeMe

Me

Me

Ph

Ph

Ph

O

OOH

O OH

O

O

O

OH

NH

O H

HSR R

S

S

S

SR

SRS

2727

Molecular Formula Molecular Formula SearchSearch

2828

Molecular Formula IndexesMolecular Formula Indexes

Molecular Formula (/MF)Molecular Formula (/MF) Complete molecular formulaComplete molecular formula

Basic Index (/BI or none)Basic Index (/BI or none) Molecular formula for one componentMolecular formula for one component

Molecular Formula SearchMolecular Formula Search

2929


Molecular Formula (/MF)Molecular Formula (/MF)

Consider the generic formula:Consider the generic formula:

A.B.C A.B.C (nc=3; n° dots +1)(nc=3; n° dots +1)

The search in the MF field is:The search in the MF field is:

=> S A.B.C/MF => S A.B.C/MF (The field MF is indexed as a frase)(The field MF is indexed as a frase)

3030


Basic Index (/BI or none)Basic Index (/BI or none)

Consider the generic formula:Consider the generic formula:

A.B.C A.B.C (nc=3; n° dots +1)(nc=3; n° dots +1)

The search in the BI field is:The search in the BI field is:

=> S A(=> S A(LL)B()B(LL)C and nc=3 )C and nc=3 (The field BI is indexed as words)(The field BI is indexed as words)

The Operators WW or AA are not working

3131

Salts of AcidsSalts of AcidsTo determine the /MF for To determine the /MF for salts of acidssalts of acids, do the , do the

following:following:

Remove the metal from the acid. Replace it with Remove the metal from the acid. Replace it with hydrogen. hydrogen.

Determine the formula for the neutral fragment. Determine the formula for the neutral fragment. Separate the acid formula from the metal formula with a Separate the acid formula from the metal formula with a

period. The carbon-containing acid comes first.period. The carbon-containing acid comes first.


3232

Salts of AcidsSalts of Acids

REGISTRY representationREGISTRY representation

Sodium acetateSodium acetate

MF C2H4O2.NaMF C2H4O2.Na


3333


=> fil reg => C2H4O2.Na/mfL1 32 C2H4O2.NA/MF => l1 and acet? 2568256 ACET?L2 32 L1 AND ACET?

3434


=> d scan L2 32 ANSWERS REGISTRY COPYRIGHT 2003 ACSIN Acetic-t3 acid, sodium salt (9CI)MF C2 H O2 T3 . Na

CO2HT

T

T

C

Na

3535


=> d 32 L2 ANSWER 32 OF 32 REGISTRY COPYRIGHT 2003 ACSRN 127-09-3 REGISTRYCN Acetic acid, sodium salt (7CI, 8CI, 9CI)

C CH3

O

HO

Na

3636

Salts of AminesSalts of AminesTo determine the /MF for amine salts quaternized To determine the /MF for amine salts quaternized

with with at least one hydrogen atomat least one hydrogen atom, do the , do the following:following:

Remove the hydrogen from the amine. Add it to the anion.

Determine the formulas for the neutral fragments.

Separate the formulas with a period. The carbon-containing formula comes first.


3737

Salts of AminesSalts of Amines

MF C3H9N.CLHMF C3H9N.CLH

Trimethylammonium chlorideTrimethylammonium chloride

REGISTRY representationREGISTRY representation


3838

Salts of AminesSalts of AminesTo determine the /MF for amine salts quaternized To determine the /MF for amine salts quaternized

without any hydrogen atomwithout any hydrogen atom, do the following:, do the following:

Determine the formula for each charged fragment.

Separate the formulas with a period. The carbon-containing formula comes first.


3939


MF C4H12N.ClMF C4H12N.Cl


Tetramethylammonium chlorideTetramethylammonium chloride

4040


Salts of AminesSalts of AminesFind the RN of the salt formed between:Find the RN of the salt formed between:

CN CN BenzamideBenzamide, 4-amino-N-[2-(diethylamino)ethyl]- (9CI), 4-amino-N-[2-(diethylamino)ethyl]- (9CI)

And And

NEt2C NH

O

CH2 CH2

H2N

H3C I

4141


Salts of AminesSalts of Amines=> fil reg=> fil reg => c14h24n3o.i/mf=> c14h24n3o.i/mfL1 5 C14H24N3O.I/MF L1 5 C14H24N3O.I/MF => l1 and diethyl?/cns=> l1 and diethyl?/cnsL2 2 L1 AND DIETHYL?/CNSL2 2 L1 AND DIETHYL?/CNS => d scan=> d scan => l1 and diethyl?/cns and ethanaminium=> l1 and diethyl?/cns and ethanaminiumL3 1 L1 AND DIETHYL?/CNS AND ETHANAMINIUML3 1 L1 AND DIETHYL?/CNS AND ETHANAMINIUM

4242



CN CN EthanaminiumEthanaminium, 2-[(4-aminobenzoyl)amino]-N,N-diethyl- , 2-[(4-aminobenzoyl)amino]-N,N-diethyl- N-methyl-, iodide N-methyl-, iodide

MFMF C14 H24 N3 O . IC14 H24 N3 O . I

Et

Et

Me

C NH

O

CH2 CH2 N

H2N

+

I-

4343


Salts of AminesSalts of AminesFind the RN of the salt formed between:Find the RN of the salt formed between:

CN CN 3(2H)-Pyridazinone3(2H)-Pyridazinone, 6-methyl-2-(3-piperidinopropyl)-, 6-methyl-2-(3-piperidinopropyl)-

And And

H3C I

(CH2)3Me

NN

N

O

4444

(CH2)3Me

NN

N

O. H3C I


Salts of AminesSalts of AminesININ 3(2H)-Pyridazinone3(2H)-Pyridazinone, 6-methyl-2-(3-piperidinopropyl)-, methiodide, 6-methyl-2-(3-piperidinopropyl)-, methiodide

MF C13H21N3O.CH3IMF C13H21N3O.CH3I

4545



=> fil reg=> fil reg => C13H21N3O.CH3I/mf=> C13H21N3O.CH3I/mfL1 2 C13H21N3O.CH3I/MFL1 2 C13H21N3O.CH3I/MF => d scan=> d scan => l1 and Pyridazinone=> l1 and PyridazinoneL2 1 L1 AND PYRIDAZINONEL2 1 L1 AND PYRIDAZINONE

4646


Salts of AminesSalts of AminesL2 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2005 ACS on STN L2 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2005 ACS on STN RN 97194-79-1 REGISTRYRN 97194-79-1 REGISTRYED Entered STN: 13 Jul 1985ED Entered STN: 13 Jul 1985CN CN 3(2H)-Pyridazinone, 6-methyl-2-(3-piperidinopropyl)-, methiodide3(2H)-Pyridazinone, 6-methyl-2-(3-piperidinopropyl)-, methiodide (7CI) (7CI) (CA INDEX NAME) (CA INDEX NAME)

MF MF C13 H21 N3 O . C H3 IC13 H21 N3 O . C H3 I

(CH2)3Me

NN

N

OH3C I

4747

Molecular Formula SearchMolecular Formula SearchSalts of Amines (Special case)Salts of Amines (Special case)RN 94154-79-7 REGISTRYCN 1H-Purinium, . . . . . . . .MF C16 H16 Br N4 O3 . C7 H7 O3 S CM 1 CRN 94154-78-6 CMF C16 H16 Br N4 O3

CM 2 CRN 16722-51-3 CMF C7 H7 O3 S

MeMe

MeBr

CH2 CN

ONN

O

N

O

Me

-O3S

ONE OR MORE TAUTOMERIC DOUBLE BONDS NOT DISPLAYED IN THE STRUCTURE, ONE OR MORE TAUTOMERIC DOUBLE BONDS NOT DISPLAYED IN THE STRUCTURE, THEN A + SIGN IS MISSING. THEN A + SIGN IS MISSING. THESE ARE CHARGED FORMSTHESE ARE CHARGED FORMS

4848

Molecular Formula SearchMolecular Formula SearchSalts of AmineSalts of Amine

BUTBUT Paratoluensulfonic acid Paratoluensulfonic acid ISIS a protic acid !!!! a protic acid !!!!

RN 104-15-4 REGISTRYCN Benzenesulfonic acid, 4-methyl- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN p-Toluenesulfonic acid (7CI, 8CI)MF C7 H8 O3 S

Me

HO3S

4949


Looking at the pubblication you find the explanationLooking at the pubblication you find the explanation

L2 ANSWER 1 OF 2 CAPLUS COPYRIGHT 2005 ACS on STN AN 1988:131969 CAPLUS GI

AB The stereo- and regiochem. aspects of the reactions of xanthinium methylides (e.g., I; R = cyano, CO2Me, Bz, COC6H4Br-4COC6H4Br-4)

N

N

N

-NCHR+O

O

Me

Me Me I

5050


L2 ANSWER 2 OF 2 CAPLUS COPYRIGHT 2005 ACS on STN AN 1985:45843 CAPLUS GI

N

N

N

NMe

MeMe

O

O

CO2Me

CO2Me

H

COPh

II

N

N

N

NMe

MeMe

O

O

CO2Me

CO2Me

H

COPh

III

N

N

N

N

Me

O

OMe

CH2COR

O2- S

Me

Me+

I

5151


C

N

C

N

C

C

N

C

NCH

3

CH3 CH

3

O

O

C

C

C

C

C

C

CH3

SO2

CH2

C

OO

C

C C

C

CC

Br

Formally, non protic salificationFormally, non protic salification

5252

Molecular Formula SearchMolecular Formula SearchSalts of AmineSalts of AmineHow can you find this kind of salts?How can you find this kind of salts?

=> ncnc2-ncnc3/es(p)c6/ea and c h br n o/elf(p)16/c(p)1/br(p)4/n(p)3/o and nc=2L15 2 NCNC2-NCNC3/ES(P)C6/EA AND

MeMe

MeBr

CH2 CN

ONN

O

N

O

Me

-O3S

Me

Me

MePh

CH2BrC

OH

N

NN

O

N

O

HCl

5353


ComplexesComplexes

OH2Co

OH2O

O

O 2+-

-

=> fil reg=> C2 H6 Co O5/MF L1 1 C2 H6 CO O5/MF => d L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACSRN 91863-88-6 REGISTRYCN Cobalt, [glyoxylato(2-)]diaquo- (7CI) (CA INDEX NAME)MF C2 H6 Co O5

5454

Me

MeCl

H3N

CoH3N

NH3

H3N

O

O C

3+-

Cl

O

O

O O-

Find the RN of the saltFind the RN of the salt

formed between the formed between the

following two components: following two components:


ComplexesComplexes

5555

=> fil reg => C5 H18 Cl Co N4 O2 . 2 Cl O4/mfL1 1 C5 H18 CL CO N4 O2 . 2 CL O4/MF => d L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACSRN 60912-05-2 REGISTRYCN Cobalt(2+), tetraammine(3-chloro-2,4-pentanedionato-O,O')-, (OC-6- 22)-,diperchlorate (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN 2,4-Pentanedione, 3-chloro-, cobalt complexMF C5 H18 Cl Co N4 O2 . 2 Cl O4LC STN Files: CA, CAPLUS


ComplexesComplexes

5656

PolymersPolymers

Most polymers are registered by CAS in Most polymers are registered by CAS in terms of their component monomers.terms of their component monomers.

CAS definition - a natural or synthetic CAS definition - a natural or synthetic macromolecule formed by linking together macromolecule formed by linking together smaller molecules (monomers).smaller molecules (monomers).


5757

Polymers-monomers basedPolymers-monomers based/MF for monomers based indexing/MF for monomers based indexing

all the monomer component formulas enclosed in all the monomer component formulas enclosed in

parenthesesparentheses and separated by periods if more than one component and separated by periods if more than one component

monomer is presentmonomer is present followed by “X”followed by “X” ratios between monomers are ignoredratios between monomers are ignored component with the highest number of carbons comes component with the highest number of carbons comes

firstfirst other components arranged in descending orderother components arranged in descending order


5858

Polymers-monomers basedPolymers-monomers basedPolystyrene – homopolymerPolystyrene – homopolymer

MF MF (C8H8)X(C8H8)X


5959

Vinyl acetate-vinyl chloride-vinyl fluoride Vinyl acetate-vinyl chloride-vinyl fluoride copolymerscopolymers

MF MF (C4H6O2.C2H3Cl.C2H3F)X(C4H6O2.C2H3Cl.C2H3F)X


Polymers-monomers basedPolymers-monomers based

6060

Polymers-SRU basedPolymers-SRU based /MF for SRU based indexing/MF for SRU based indexing

the SRU formula enclosed in parenthesesthe SRU formula enclosed in parentheses arranged in descending orderarranged in descending order followed by “N”followed by “N” starting or ending groups, outside of the parentheses in starting or ending groups, outside of the parentheses in

ascending orderascending order


6161

Polymers-SRU basedPolymers-SRU based


OMeC

CH

O

n

MF (C3 H4 O2)nMF (C3 H4 O2)n

6262

Polymers-SRU basedPolymers-SRU based


MF (C3 H4 O2)n C12 H30 N2MF (C3 H4 O2)n C12 H30 N2

nN+Et3Et3+N

OMe

CH

C

O

6363

Molecular Formula (/MF) Basic Index (/BI or none)

(C5H8O2)x C5H8O2

(C7H10Cl2O4.C4H10N2)x C7H10Cl2O4 C4H10N2

(C12H2O4)n C12H2O4

(C2H4O)nC28H40 C2H4O (C2H4O)nC28H40

(C8H6O.(C2H4O)nH2O4)x C8H6O C2H4O (C2H4O)nH2O4

(C10H8O4)n.xNa C10H8O4 Na (C10H8O4)n

((C18H34O2)2.C14H32N2)x C18H34O2 C14H32N2 (C18H34O2)2

(C5H8O2.C3H3N)x.CH2I2 C5H8O2 C3H3N CH2I2 (C5H8O2.C3H3N)x

MF Indexing for Polymers in Basic IndexMF Indexing for Polymers in Basic Index

6464

IsotopesIsotopesDeuterium & Tritium double indexedDeuterium & Tritium double indexed

One formula with HOne formula with H One formula with D &/or TOne formula with D &/or T


6565

Skills Practice

Run the searches, using molecular formulas, Run the searches, using molecular formulas, in /MF and /BI fields, for:in /MF and /BI fields, for:

Sodium acetateSodium acetateTrimethylammonium chlorideTrimethylammonium chlorideTetramethylammonium chlorideTetramethylammonium chloride

6666

=> C2H4O2.Na/MF=> C2H4O2(l)Na and nc=2

=> C3H9N.CLH/MF=> C3H9N(l)CLH and nc=2

=> C4H12N.Cl/MF=> C4H12N(l)Cl and nc=2

6767

NEt2

Me

Me

NO

N

CH2

H3C I

Skills Practice

Find the RN for the salt between:Find the RN for the salt between:

6868

=> fil reg

=> c14h24n3o.i/mfL1 4 C14H24N3O.I/MF => d 1-4 in mf str

6969

Me

Me

N CH2 CH2 OH

N

NH2

+

I-

Et

Et

Me

C NH

O

CH2 CH2 N

H2N

+

I-

i-Bu Me

CNN

N CH2

O

CH2+

I-

(CH2)3 NEt2

Me

C NH

O

N+

I-

7070

=> c13h21n3o.ch3i/mfL2 2 C13H21N3O.CH3I/MF => d scan L2 2 ANSWERS REGISTRY COPYRIGHT 2003 ACSIN Furo[2,3-d]pyrimidine-6-methanamine, N,N-diethyl-5,6-dihydro-2,4-dimethyl-, compd. with iodomethane (1:1) (9CI)MF C13 H21 N3 O . C H3 I CM 1

CM 2

NEt2

Me

Me

NO

N

CH2

H3C I

7171

CMe2

Me2C

CMe2

O Cl

CoO

O

O

O

O

O

O

OCl

O

O

-

2+-

Skills Practice

Find the Rn for the following complex:Find the Rn for the following complex:

7272

=> C9 H18 Cl2 Co O11/mfL2 1 C9 H18 CL2 CO O11/MF => d L2 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACSRN 53406-68-1 REGISTRYCN Cobalt, (perchlorato-O)(perchlorato-O,O')tris(2-propanone)- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN 2-Propanone, cobalt complexCN Perchloric acid, cobalt complexMF C9 H18 Cl2 Co O11

7373

Skills Practice

Isolate the Cobalt element, or ions, Isolate the Cobalt element, or ions, among compounds with MF=COamong compounds with MF=CO

7474

=> co/mfL1 120 CO/MF => c o/mfL2 31 C O/MF => l1 not l2L3 89 L1 NOT L2

=> l1 and cobalt 252809 COBALTL4 89 L1 AND COBALT

7575

Formula Search FieldsFormula Search Fields

7676

Field Name Search Field Code Type of Indexing

Atom Count /ATC numericElement Count /ELC numericElement Count for Substance /ELC.SUB numericElemental Formula /ELF textElement Symbol /ELS textElement Symbol for Multicom. Form. /ELS.MCF textFormula Weight /FW numericPeriodic Group /PG textSpecific Element Count /C, /Cu, /H etc. numeric


7777

General text fields can be combined with structure General text fields can be combined with structure

search answer sets as well as text-based answer sets search answer sets as well as text-based answer sets

p. 16 General Text FieldsGeneral Text Fields

7878

OperatorsOperators(L) Links the entire molecular (L) Links the entire molecular

formula (across components) formula (across components)(P) In a single component (P) In a single component


7979

Element Formula (/ELF)Element Formula (/ELF)

Specific elements (with spaces between them)Specific elements (with spaces between them) => S C H CL F/ELF=> S C H CL F/ELF No element countsNo element counts Operator (L) Operator (L) withwith ELF ELF (P) (P) with other MF Fieldswith other MF Fields


8080


Molecular Formula Indexing in /ELF

C16 H12 Br2 N4 C H Br N/ELFC12 H23 N O3 . Na C H N O/ELF Na/ELF

C8 H6 N2 O S . 1/2 Ni C H N O S/ELF Ni/ELFC14 H14 O3 . C4 H11 N O C H O/ELF C H N O/ELF

Unspecified Unspecified/ELFC7 H11 D O S C H D O S/ELF C H O S/ELF

(C9 H8 O3 . C6 H9 N O)x C H O/ELF C H N O/ELF(C5 H8 O2 . C3 H3 N)x . C H2 I2 C H O . C H N/ELF C H O/ELF C H N/ELF C H I/ELF

(C18 H34 O2)2 C H O/ELF ((C18 H34 O2)2 . C14 H32 N2)x (C H O)2/ELF C H O/ELF C H N/ELF

(C5 H8 O2 )n C H O/ELF(C3 H6 O)n C20 H28 N2 O C H O/ELF (C H O)n C H N O/ELF

N . O4 Si . Y N/ELF O Si/ELF Y/ELFN O4 Si Y3 N O Si Y/ELF

8181

=> c h br/elfL1 27484 C H BR/ELF => d hit L1 ANSWER 1 OF 27484 REGISTRY

MF (C10 H20 Br2C10 H20 Br2 . C10 H17 N3 O4 S2 . (C2 H4 O)n C4 H8 Br2 O)x


8282

=> c h o . c h n/elfL2 468 C H O . C H N/ELF

MF (CC1616 H6 O7 H6 O7 . CC1414 H16 N2 H16 N2)x.x C6 H10 O3

=> c h o/elf(l)c h n/elfL6 108455 C H O/ELF(L)C H N/ELF

MF C7 H6 N2 O4 . C6 H15 NC6 H15 N . C4 H8 OC4 H8 O


8383

=> c h/elf and nc=1L3 145790 C H/ELF AND NC=1=> d hitL3 ANSWER 1 OF 145790 MF C25 H32C25 H32

=> c h/elf(l)nc=1L4 145783 C H/ELF(L)NC=1

=> l3 not l4L5 7 L3 NOT L4


8484

=> d hit L5 ANSWER 1 OF 7 REGISTRY

MF C14 H28C14 H28 . 1/2 C12 H10 O7 S2AF C40 H66 O7 S2C40 H66 O7 S2


C H/ELFC H/ELF

NC = 1NC = 1

8585

=> c h n o/elf(p)atc<=10

L8 24420 C H N O/ELF(P)ATC<=10 => d hit L8 ANSWER 1 OF 24420 REGISTRYMF C9 H12 O6 . 3 C H4 N2 OC H4 N2 O


8686

=> c h/elf(l)nc=1 not rsd/fa not pms/ci

Isolate single-component compounds, notIsolate single-component compounds, not

polymeric, containing only C and H in chains polymeric, containing only C and H in chains


8787

Element Symbol (ELS)Element Symbol (ELS) Presence of elementsPresence of elements

M,XM,X work work

NO: NO: C H O N/ELSC H O N/ELS

Operarors (L), (P), (A), Operarors (L), (P), (A), polymers also (XA)polymers also (XA)


8888

=> (S(L)Se(L)X)/ELSL1 3780 (S(L)SE(L)X)/ELSMF C42H42O2SeSeTe2 . 2CFF3O3SS

=> (S(P)Se(P)X)/ELSL2 1849 (S(P)SE(P)X)/ELSMF C9H17ClClOSS SeSe


/ELS (L) versus (P)/ELS (L) versus (P)

8989

=> Nb/els(ll)4-7/atc not af/faL8 1929 L7 NOT AF/FAMF C36 H43 N NbNb O4 . B F4B F4

=> Nb/els(pp)4-7/atc not af/faL10 958 L9 NOT AF/FA

MF C7 H18 N . F6 NbF6 Nb



9090

=> (Se(p)Cl(p)C)/els(p)5/elcL12 2739(SE(P)CL(P)C)/ELS(P)5/ELCMF C4 Cl2 N4 S4 Se2C4 Cl2 N4 S4 Se2 . 2 H4 N



9191

=> (B(L)H(L)M)/ELS NOT C/ELSL24 4591 (B(L)H(L)M)/ELS NOT C/ELSMF BB12 HH12 . He . 2 LiLi

=> (B(P)H(P)M)/ELS (NOTP) C/ELSL25 1561 (B(P)H(P)M)/ELS(NOTP)C/ELSMF CC24 H20 P . BB4 HH16 YY


/ELS (L) NOT, (P) (NOTP)/ELS (L) NOT, (P) (NOTP)

9292


/ELS (P) versus (A)/ELS (P) versus (A)=> (S(P)Se(P)X)/ELSL1 1849 (S(P)SE(P)X)/ELSMF C9H17ClClOSS SeSe

=> (S(a)Se(a)X)/ELSL2 1733 (S(A)SE(A)X)/ELS MF C17 H17 Br N2 O SS2 SeSe . BrBr H

=> (S(w)Se(w)X)/ELSL2 1733 (S(W)SE(W)X)/ELS

9393

=> pms/ci and n/elsL1 478557 PMS/CI AND N/ELS

=> l1 and (n(l)n)/elsL2 478557 L1 AND (N(L)N)/ELS

MF C20 H38 NN2 O6 . C H4 O3 S


Special case: PolymersSpecial case: Polymers

9494


=> L1 and (N(XA)N)/ELSL3 4142 L1 and (N(XA)N)/ELSMF (C29 H18 F6 NN2 O5)n C60 H38 F12 NN4 O13

Special case: PolymersSpecial case: Polymers

9595


Using /ELF Field, isolate, in Registry, the Using /ELF Field, isolate, in Registry, the lowest set containing the following lowest set containing the following compound. compound.

9696

Formula Search FieldsFormula Search FieldsRN 52954-13-9 REGISTRY

n

n

n

n

C N

O

CH2

CH2

CH2

CH2

C

O

O

N

O

CH2

CH2

CH2

CH2

CH2

CH2

CH2

CH2

OH

OH

O

O

CH2

CH2

CH2

CH2

OH

OH

9797


Molecular Formula Indexing in /ELF

C16 H12 Br2 N4 C H Br N/ELFC12 H23 N O3 . Na C H N O/ELF Na/ELF

C8 H6 N2 O S . 1/2 Ni C H N O S/ELF Ni/ELFC14 H14 O3 . C4 H11 N O C H O/ELF C H N O/ELF

Unspecified Unspecified/ELFC7 H11 D O S C H D O S/ELF C H O S/ELF

(C9 H8 O3 . C6 H9 N O)x C H O/ELF C H N O/ELF(C5 H8 O2 . C3 H3 N)x . C H2 I2 C H O . C H N/ELF C H O/ELF C H N/ELF C H I/ELF

(C18 H34 O2)2 C H O/ELF ((C18 H34 O2)2 . C14 H32 N2)x (C H O)2/ELF C H O/ELF C H N/ELF

(C5 H8 O2 )n C H O/ELF(C3 H6 O)n C20 H28 N2 O C H O/ELF (C H O)n C H N O/ELF

N . O4 Si . Y N/ELF O Si/ELF Y/ELFN O4 Si Y3 N O Si Y/ELF

9898

Formula Search FieldsFormula Search Fields=> 52954-13-9L1 1 52954-13-9 (52954-13-9/RN)

=> "(c h o)n (c h o)n (c h o)n (c h o)n c h n o"/elfL2 1318 "(C H O)N (C H O)N (C H O)N (C H O)N C H N O"/ELF => l1 and l2L3 1 L1 AND L2

9999

Element Symbol, Multicomponent Formula Element Symbol, Multicomponent Formula (ELS.MCF)(ELS.MCF)

Presence of elements in the entire formulaPresence of elements in the entire formula

M,XM,X work work

NO: NO: C H O N/ELS.MCFC H O N/ELS.MCF

Operarors (L)=(P), (XA), (A), (XW) , (W)Operarors (L)=(P), (XA), (A), (XW) , (W)


100100

(B(L)NI)/ELS (B(L)NI)/ELS.MCF (B(XA)NI)/ELS.MCF (B(A)NI)/ELS.MCF (B(XW)NI)/ELS.MCF (B(W)NI)/ELS.MCF (B(XA)B)/ELS.MCF (B(A)B)/ELS.MCF


Operator analysisOperator analysis

101101

=> (B(L)NI)/ELS.MCFL1 23059 (B(L)NI)/ELS.MCFMF C . BB . Co . Fe . NiNi . Si

=> (B(L)NI)/ELSL2 24257 (B(L)NI)/ELS => l2 not l1L3 1198 L2 NOT L1MF (B Ni2)2=> l3 and nc>1L4 0 L3 AND NC>1

/ELS gets also monocomponent compounds with/ELS gets also monocomponent compounds with B and NiB and Ni

Formula Search FieldsFormula Search Fields/ELS.MCF versus /ELS/ELS.MCF versus /ELS

102102


/ELS.MCF (L) versus (XA)/ELS.MCF (L) versus (XA)=> (B(L)NI)/ELS.MCFL1 23822 (B(L)NI)/ELS.MCFMF C36 H44 BB2 N12 NiNi O12 . C2 H3 N => (B(XA)NI)/ELS.MCFL2 23536 (B(XA)NI)/ELS.MCFMF C . BB . Cr . Fe . Ni . Si

The (L) operator gets also B and Ni inside the same component inThe (L) operator gets also B and Ni inside the same component in

multicomponent compounds.multicomponent compounds.

103103


/ELS.MCF (XA) versus (XW)/ELS.MCF (XA) versus (XW)

=> (B(XA)NI)/ELS.MCFL1 23536 (B(XA)NI)/ELS.MCFMF C36 H34 N12 NiNi2 . 2 C2 H3 N . 4 BB F4

=> (B(XW)NI)/ELS.MCFL5 21128 (B(XW)NI)/ELS.MCFMF C . BB . Cr . Fe . NiNi . Si

104104


/ELS.MCF (XA) versus (A)/ELS.MCF (XA) versus (A)=> (B(XA)NI)/ELS.MCF

L1 23536 (B(XA)NI)/ELS.MCF

MF C36 H34 N12 NiNi2 . 2 C2 H3 N . 4 BB F4

=> (B(A)NI)/ELS.MCF

L2 5413 (B(A)NI)/ELS.MCF

MF C42 H42 N12 NiNi2 . 4 B F4

105105


/ELS.MCF (XW) versus (W)/ELS.MCF (XW) versus (W)=> (B(XW)NI)/ELS.MCF

L5 21128 (B(XW)NI)/ELS.MCF

MF C . BB . Cr . Fe . NiNi . Si

=> (B(W)NI)/ELS.MCF

L3 3085 (B(W)NI)/ELS.MCF

MF BB . NiNi . Sb

106106


/ELS.MCF (XA) versus (A), with the same Element/ELS.MCF (XA) versus (A), with the same Element

=> (B(XA)B)/els.mcfL3 2519 (B(XA)B)/ELS.MCFMF C34 H33 BB Ir N6 P2 . 1/2 C H2 Cl2 . BB F4

=> (B(A)B)/els.mcfL4 2410 (B(A)B)/ELS.MCFMF C32 H54 BB Cr N8 O.C32 H12 BB F24.1/2 C H2 Cl2

107107

Element countsElement counts

=> S 1- 4/C (L) 3/N=> S 1- 4/C (L) 3/N Operators (W) (A) (P) (L)Operators (W) (A) (P) (L)0/C, 0/H, 0/N0/C, 0/H, 0/N


108108

=> 1/sb and 3/xL1 2347 1/SB AND 3/X => d kwic L3 ANSWER 1 OF 11 REGISTRYMF Br . Hg . SbSb . TlAF Br3Br3 Hg3 Sb2 Tl



109109

=> 1/sb(l)3/xL3 2336 1/SB(L)3/X L4 ANSWER. . . . . . . . MF I . La . SbAF I3I3 La3 SbSb L5 ANSWER 1 OFMF C18 H12 Br3Br3 N . Cl5 SbSb



110110

=> 1/sb(p)3/xL6 1733 1/SB(P)3/X => d mf L6 ANSWER 1 OF 1733 REGISTRY MF C29 H33 Cl3Cl3 N O SbSb



111111

=> 14/c(p)4/o(p)n>=2L1 59669 14/C(P)4/O(P)N>=2 => d mf L1 ANSWER 1 OF 52760 MF C14C14 H14 N2N2 O4O4



112112

=> 14/c(xa)4/o(xa)n>=2L1 59669 14/C(xa)4/O(xa)N>=2 => d mf L1 ANSWER 1 OF 52760 MF C14C14 H14 N2N2 O4O4



113113


Element countsElement counts=> 14/c(2a)4/o(2a)n>=2L8 39861 14/C(2A)4/O(2A)N>=2

MF (C21 H14 N2 O4 . C14C14 H16 N2 O4O4 . C13 H14 N2)x

=> 14/c(2a)n>=2(2a)4/oL10 56935 14/C(2A)N>=2(2A)4/O

MF C14C14 H23 F N4N4 O4 S . C4 H4 O4

114114



=> 14/c(1a)4/o(a)n>=2L15 3 14/C(1A)4/O(A)N>=2

MF C14C14 N4 O4O4

=> 14/c(a)4/o(a)n>=2L2 0 14/C(A)4/O(A)N>=2

115115



=> 14/c(1a)n>=2(1a)4/oL4 40373 14/C(1A)N>=2(1A)4/O

MF C14C14 H26 N2N2 O4O4MF C16 H36 N . 1/2 C14C14 H10 N2N2 Ni O4O4 S6

=> 14/c(1a)n>=2(a)4/oL1 39860 14/C(1A)N>=2(A)4/O

MF C14C14 H12 N4N4 O4O4 S

116116



=> 14/c(1a)4/o(1a)n>=2L5 8 14/C(1A)4/O(1A)N>=2

MF (C5C5 H9 N O)n (C5C5 H9 N O)n C4C4 H8 O2O2

=> 14/c(w)n>=2(w)4/oL8 3 14/C(W)N>=2(W)4/O

MF C14 N6 O4 . 2 K

117117

=> 1/se(p)5/atcL2 986 1/SE(P)5/ATC => d mf L2 ANSWER 1 OF 986 REGISTRY MF Al . Li . Mn . O4 SeO4 Se . O



118118

=> c h n o/elf(p)6/o(p)2/nL3 89554 C H N O/ELF(P)6/O(P)2/N => d mf L3 ANSWER 1 OF 89554 REGISTRY MF C23 H40 N2N2 O6O6



119119

=> 2/n(p)2-6/x(notp)h/elsL4 4099 2/N(P)2-6/X(NOTP)H/ELS => d mf L4 ANSWER 1 OF 4099 REGISTRYMF C24 H20 P.1/2 Cl4 N2 O4O4 PdPd2



120120

=> 74-82-8 (methane CH4)L5 1 74-82-8 (74-82-8/RN) => l5 and 1/cL6 1 L5 AND 1/C



121121

=> l5 and 1/c and 0/n0/nL7 0 L5 AND 1/C AND 0/N0/N => l5 and 1/c(notp)n/elsL8 1 L5 AND 1/C(NOTP)N/ELS



122122

Periodic Group (/PG)Periodic Group (/PG)

Elements in a periodic groupElements in a periodic group => S (A1(L)LANTH)/PG=> S (A1(L)LANTH)/PG


123123

Periodic Group Search Indexes Periodic Group Search Indexes

p. 17 Formula Search FieldsFormula Search Fields

124124

E4 460823 A1/PGE5 272475 A2/PGE6 639534 A3/PGE7 1220450 A4/PGE8 13861594 A5/PGE9 16872223 A6/PGE10 5953933 A7/PGE11 6802 A8/PGE12 43123 ACTN/PG E13 450596 B1/PGE14 224674 B2/PGE15 114542 B3/PG

Formula Search FieldsFormula Search FieldsPeriodic Group (/PG)Periodic Group (/PG)

125125

E16 305603 B4/PGE17 251422 B5/PGE18 550748 B6/PGE19 423851 B7/PGE20 1464421 B8/PGE21 279813 LNTH/PGE22 1940 SHEL/PG* E23 1621680 T1/PG**E24 768205 T2/PG**E25 474482 T3/PG*** Atomic Number over 104** T1= Sc-Cu;T2=Y-Ag;T3=La-Au

Formula Search FieldsFormula Search FieldsPeriodic Group (/PG)Periodic Group (/PG)

126126

=> (b6(l)a5(l)a7)/pgL7 45898 (B6(L)A5(L)A7)/PG MF C35 H47 ClCl4 Fe3 MoMo NN O8 PP2 S3

MF C68 H72 CrCr2 NN12.4 C H2 ClCl2.FF6 PP



127127

=> (b6(p)a5(p)a7)/pgL9 32699 (B6(P)A5(P)A7)/PG => d mf L9 ANSWER 1 OF MF C35 H47 ClCl4 Fe3 MoMo NN O8 PP2 S3



128128

=> (pd(p)n)/els(p)(a6(p)a7)/pgL4 11110 (PD(P)N)/ELS(P)(A6(P)A7)/PG => d hit L4 ANSWER 1 OF 11110MF C66 H52 ClCl2 Fe NN2 OO8 P2 PdPd2



129129

Isolate the A1 salicylic salts Isolate the A1 salicylic salts



130130

=> salicylic acid/cnL1 1 SALICYLIC ACID/CN => sel rn L2 SEL L1 1- RN : 1 TERM => l2/crn and a1/pg and nc=2 L4 14 L3 AND A1/PG AND NC=2 Isolate the A1 salicilic salts



131131

Component Element Count (/ELC)Component Element Count (/ELC)

Number of unique elements in a Number of unique elements in a componentcomponent => S (C (P) X)/ELS (P) 2/ELC=> S (C (P) X)/ELS (P) 2/ELC


132132

=> 2/elc(l)3/elcL1 304155 2/ELC(L)3/ELC

=> l1 and nc=2L2 138623 L1 AND NC=2MF C42 H87 Mn . C42 H87 Mn . Cl MgCl Mg



133133


Component Element Count (/ELC)Component Element Count (/ELC)=> l1 and nc=1L3 10468 L1 AND NC=1MF C13 H15 D3

=> l3 and d/elsL4 8544 L3 AND D/ELS

Deuterium is indexed twice: as D, and as HDeuterium is indexed twice: as D, and as H

134134

=> rb/els(l)5/elcL5 1775 RB/ELS(L)5/ELC

MF CC6 HH5 NN OO4 SS2 . H2 O . RbRb



135135

=> rb/els(p)5/elcL6 1442 RB/ELS(P)5/ELCMF CC19 HH32 OO PP RbRb



136136

Substance Element Count (/ELC.SUB)Substance Element Count (/ELC.SUB)

Number of unique elements in the Number of unique elements in the substancesubstance => S (X (L) N)/ELS (L) 5/ELC.SUB=> S (X (L) N)/ELS (L) 5/ELC.SUB


137137

=> 2/elc.subL2 212557 2/ELC.SUB

MF Si . UAF SiSi3 UU MF CC15 HH16 MF CC3 AlAl4 . AlAl



138138

=> 2/elc.sub(l)3/elcL3 9048 2/ELC.SUB(L)3/ELCMF C12 H23 D

=> l3(l)nc=1L4 8946 L3(L)NC=1MF C6 H7 DC6 H7 D

D is indexed twice: as D, and as HD is indexed twice: as D, and as H



139139

=> l3 not l4L5 102 L3 NOT L4 MF D2 O2 . D H OD2 O2 . D H O



140140

In File CAPlus isolate all the patents concerning polyolefins with only CC and HH in MF


141141

=> fil reg => e polyolefins/pctE1 2729 POLYNUCLEOTIDE/PCTE2 33323 POLYOLEFIN/PCTE3 0 --> POLYOLEFINS/PCTE4 233195 POLYOTHER/PCT. . . . . . . . . . . . . . . . . .=> e2 and c h/elf and 2/elc.subL1 4129 POLYOLEFIN/PCT AND C H/ELF AND 2/ELC.SUB


142142

=> fil caplus => l1 and p/dt L2 204761 L1 AND P/DT => d hitstr


143143

L2 ANSWER 1 OF 204761 CAPLUS COPYRIGHT 2005 ACS on STN IT 9003-17-2CN 1,3-Butadiene, homopolymer IT 9003-31-0CN 1,3-Butadiene, 2-methyl-, homopolymer IT 9003-55-8CN Benzene, ethenyl-, polymer with 1,3-butadiene


144144

Formula Weight (/FW)Formula Weight (/FW)

Numeric Numeric => S (C H N O)/ELF (P) FW<=150=> S (C H N O)/ELF (P) FW<=150


145145

MF FW-INDEXING

C12 H2 N2 200C4 H4 O4 . 2 Na 146 - 24

C5 H6 O5 . X C3 H4 N2 146 - 68(C2 H Cl3 O)6 NONE


Formula Weight (/FW)Formula Weight (/FW)

116 - 23

174

146146

Atom Count (/ATC)Atom Count (/ATC)

Total number of atoms in a componentTotal number of atoms in a component => S (C H/ELF) (P) (150-200)/ATC=> S (C H/ELF) (P) (150-200)/ATC


147147

Skills Practice

From your library you have isolated a compound with antiinflammatory property.

You know:

MW = 420-430

BP = 630-640 °C at 760 Torr

There are in the structure the following fragments:

Find any known structure with that property

Br

O

N

MeS

Me

O

O

R/CR/C

148148

=> fil reg=> Uploading C:\Program Files\stnexp\Queries\w11c.strL1 STRUCTURE UPLOADED => d

Br

O

N

MeS

Me

O

O

149149

=> 420-430/fw and 630-640 c/bp and 760 torr/bp.p L2 104970 420-430/FW AND 630-640 C/BP AND 760 TORR/BP.P => l1 full subset=l2FULL SUBSET SEARCH INITIATED 10:33:21FULL SUBSET SCREEN SEARCH COMPLETED - 61 TO ITERATE 100.0% PROCESSED 61 ITERATIONS 1 ANSWERSSEARCH TIME: 00.00.01 L3 1 SEA SUB=L2 SSS FUL L1

150150

=> d L3 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACSRN 395683-24-6 REGISTRYCN Benzeneacetamide, 4-bromo-N-methyl-N-[2-[4-(methylsulfonyl)phenyl]-2-oxoethyl]- (9CI)

MeMe Br

C CH2

O

N C CH2

OS

O

O

151151

=> fil caplus => l3 and antiinflammatory L4 2 L3 AND ANTIINFLAMMATORY => d 1-2

152152

L4 ANSWER 1 OF 2 CAPLUS COPYRIGHT 2003 ACSAN 2003:49505 CAPLUS Full-textTI Preparation of sulfonylpyrrolidones as antiinflammatory agentsIN Guo, Zongru; Cheng, Guifang; Chu, Fengming; Yang, Guangzhong; Xu, BolingPA Inst. of Pharmacology, Chinese Academy of Medicine, Peop. Rep. ChinaSO Faming Zhuanli Shenqing Gongkai Shuomingshu, 40 pp. CODEN: CNXXEVDT PatentLA ChineseFAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- --------------- --------PI CN 1318541 A 20011024 CN 2000-105899 20000417PRAI CN 2000-105899 20000417

http://chemport.cas.org/cgi-bin/ex_sdcgi?rcKmIaqTR41diTi9k6tWcsrCSvyyEiig@8N6ZjpY08WsTS6pO5F@Z6r1YhPhgZUHpprjqrHHRO3jpyKg3RaFMOSwYyI1S@_PiGflEqFBT5AE6uUsZbntvo4bO0azO6Xv_pW80XwLu@kgdzbJ_CCjjI07LO7CtL3PDteIyrh5s6YpNZ

153153

NNH

Find all possible salts of 1H-Pyrazoles with Alkyl Iodides

Skills Practice

154154

=> 1h-pyrazolium/hp and nc=2 and c h n/elf(p)2/n(l)(i or c h i)/elf

L1 97 1H-PYRAZOLIUM/HP AND NC=2 AND C H N/ELF (P)2/N(L)(I OR C H I)/ELF => d scan

155155

IN 1H-Pyrazolium, 4,5-dihydro-1,2-dimethyl-3-(2- methylphenyl)-5-(4-methylphenyl)-,iodide (9CI)MF C19 H23 N2 . I

Me

Me

Me

Me

NN

+

I-

156156

IN 1H-Pyrazolium, 1-ethenyl-2- ethyl-3-methyl-,iodide (9CI)MF C8 H13 N2 . I

Et

Me NN CH CH2

+

I-

157157

HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):end

=> l1 and c h i/elf 11256 C H I/ELFL2 7 L1 AND C H I/ELF => d scan

158158

=> d scanL2 7 ANSWERSIN 1H-Pyrazolium, 1-ethenyl-1,3,4(or 2,3,4)-trimethyl-, iodide (9CI)MF C7 H10 N2 . C H3 I

CM 1

Me

Me CH CH2NN

H3C I

CM 2

159159

L2 7 ANSWERS REGISTRYIN 1H-Pyrazolium, 1-ethenyl-1(or 2)-ethyl-5-methyl-, iodideMF C6 H8 N2 . C2 H5 I CM 1

CM 2

Me

CH CH2NN

CH2H3C I

160160

What compounds containing a --O--O-- linkage in chains or rings, other than hydrogen peroxide and ozone, are used most frequently in organic reactions?

Skills Practice

161161

Frequent useFrequent use/REF.CA/REF.CA

““Peroxides”Peroxides”Name fragments or SSSName fragments or SSS

Use in reactionsUse in reactions/LC/LC

162162

=> FILE REGISTRY

=> S REF.CA>10L1 228938 …

163163

=> S L1 AND ?PEROX?/CNS

L2 863...

164164

CN 2-Propenoic acid, 2-methyl-, 2-[[[(1,1-dimethylethyl) dioxy] carbonyl]oxy]ethyl ester (9CI) (CA INDEX NAME)

Disadvantages of Name Fragment SearchingDisadvantages of Name Fragment Searching

May not be completeMay not be complete

May not be preciseMay not be precise

Peroxidase, glutathione (phospholipid hydroperoxide-reducing

165165

=> Uploading peroxi.str

L3 STRUCTURE UPLOADED

=> D L3

L3 HAS NO ANSWERSL3 STR

O-----ORing or chain atoms and bond

166166

=> S L3 SAM SSS SUBSET=L1L4 42..

=> S L3 FULL SSS SUBSET=L1L5 825..

167167

Comparing ApproachesComparing Approaches

Hits Unique to the SSS Approach:Hits Unique to the SSS Approach:

PhPh O

OO CH3

CH3O

O

168168

Comparing ApproachesComparing Approaches

Hits Unique to the Name Fragment Approach:Hits Unique to the Name Fragment Approach:

(CH2)7(CH2)7

(CH2)7

(CH2)7

MeMe

Me

Me

N

C S

S

S C N

S

IN 2,4-Pentanedione, peroxide (9CI)MF UnspecifiedUnspecified

IN Peroxidase, glutathione (phospholipid hydroperoxide- reducing) (9CI)MF UnspecifiedUnspecified

169169

=> S L5 NOT (HYDROGEN PEROXIDE/CN OR OZONE/CN)L8 823...

170170

Focusing on Compounds From ReactionsFocusing on Compounds From Reactions

=> S L8 AND (CASREACT OR CHEMINFORMRX)/LCL9 361...

L9 contains “peroxides” that have been cited frequently in the CA/CAplus file and have appeared in reaction databases

171171

=> ANALYZE L9 1- MF L11 ANALYZE L9 1- MF : 283 TERMS

=> D L11 1- ALPHAL11 ANALYZE L9 1- MF : 283 TERMS

TERM # # OCC # DOC % DOC MF------ ------- ------ ------ --------------- 1 1 1 0.28 AGO2 2 1 1 0.28 AG2O2 3 1 1 0.28 BAO2 4 1 1 0.28 BHO3.H2O.NA

ooo 12 1 1 0.28 CHF3O2 13 1 1 0.28 CH2O2 14 1 1 0.28 CH2O3.XH2O2.2NA

ooo

172172

Restricting the Answers to Certain ElementsRestricting the Answers to Certain Elements

=> S L9 AND C H O/ELF AND 3/ELC.SUBL12 243...

173173

Sorting the Compounds Based on Number of ReferencesSorting the Compounds Based on Number of References

=> SORT L12 1- REF.CA DL13 243 SORT L12 1- REF.CA D

=> D L13 1 243 RN STR REF

L13 ANSWER 1 OF 243 RN 94-36-0 REGISTRY

5978 REFERENCES IN FILE CA (1967 TO DATE)

Ph PhCO

O

OC

O

174174

L13 ANSWER 243 OF 243 RN 676-08-4 REGISTRY

11 REFERENCES IN FILE CA (1967 TO DATE)

(CH2)9MeCO

O

HO

175175

Skills Practice

Locate references discussing the use of small molecules to treat multiple sclerosis.

176176

Small moleculesSmall molecules/FS and element counts in REGISTRY/FS and element counts in REGISTRY

Multiple sclerosisMultiple sclerosisSubject terms in CAplusSubject terms in CAplus

177177

=> FILE CAPLUS

=> S MULTIPLE SCLERO?L1 3652..

=> S L1 AND SMALL MOL?L2 10..

178178

REGISTRY Terms for “Small Molecules”REGISTRY Terms for “Small Molecules”

FW (Formula Weight)FW (Formula Weight)Carbon counts (C<10)Carbon counts (C<10)NOT PS/FS or NS/FSNOT PS/FS or NS/FS

FW (Formula Weight)FW (Formula Weight)Carbon counts (C<10)Carbon counts (C<10)NOT PS/FS or NS/FSNOT PS/FS or NS/FS

179179

=> FILE REGISTRY

=> TRANSFER L1 1- RNooo

L3 TRANSFER L1 1- RN : 19104 TERMSooo

L4 19066 L3

180180

=> S L4 NOT ( PS/FS OR NS/FS)L5 15039

=> S L5 AND C<30L6 12629

=> D SCAN

181181

=> FILE CAPLUS

=> S L1 AND L6/THUL7 373...

=> D SCAN TI HITINDooo

IT 83-43-2, Methylprednisolone RL: BAC (Biological activity or effector, except adverse); THU(Therapeutic use); BIOL (Biological study); USES (Uses) (spontaneous remyelination in the toxic nonimmune model...

182182

Locate information on the preparation of barium calcium copper mercury oxide (HgBaCaCuO) superconductor films.

Skills Practice

183183

Compounds composed of only Hg Ba Ca Cu OCompounds composed of only Hg Ba Ca Cu O

/ELS in REGISTRY/ELS in REGISTRY

/ELC. SUB in REGISTRY/ELC. SUB in REGISTRY

Preparation of filmsPreparation of films

CAS role and subject terms in CAplusCAS role and subject terms in CAplus

184184

Elements may be in different components

RN 1304-28-5 REGISTRYIN Barium oxide (BaO) (9CI)MF Ba O

RN 206283-72-9 REGISTRYIN Barium oxide (Ba11O11) (9CI)MF (Ba O)11 RN 205877-70-9 REGISTRYIN Barium oxide (Ba13O11) (9CI) MF Ba . O

185185

/ELS contains the elements present in a MF

Molecular Formula:

C7 H6 O2 . K

/ELS Search Terms:

C/ELSH/ELSO/ELSK/ELS

186186

(L) proximity requires /ELS terms be in the same AF or MF

=> FILE REGISTRY

=> S (HG (L) BA (L) CA (L) CU (L) O)/ELSL1 382 …

=> D SCAN

IN Barium calcium copper mercury thallium oxide (Ba2Ca2Cu3Hg1.4Tl0.6O10.5) (9CI)MF Ba . Ca . Cu . Hg . O . Tl

187187

/ELC fields specify how many elements

Molecular Formula:

C7 H6 O2 . K

/ELC Search Terms:

4/ELC.SUB3/ELC (for C7H6O2)1/ELC (for K)

188188

=> S L1 (L) 5/ELC.SUBL2 112 …

=> D SCAN

IN Barium calcium copper mercury oxide (Ba2CaCu2HgO6.6) (9CI)MF Ba . Ca . Cu . Hg . O

189189

=> FILE CAPLUS

=> S L2/PREP (L) FILM?L3 20…

=> D SCAN

IT 151248-93-0P, Barium calcium copper mercury oxide RL: SPN (Synthetic preparation); PREP (Preparation) (high-temp. barium calcium copper mercury oxide (HgBaCaCuO) superconductor manuf. in bulk and thin films)

190190

Skills Practice

What studies have been published on adverse biological effects of long-chain (C>5) perfluoroalkylcarboxylic acids or any of their simple metal salts?

Which acids have been studied most heavily?

191191

Perfluoro mono-carboxylic acidsPerfluoro mono-carboxylic acids/ELF in REGISTRY/ELF in REGISTRY

Adverse effectsAdverse effectsCAS role in CaplusCAS role in Caplus

Frequently studied compoundsFrequently studied compoundsidentify via ANALYZE identify via ANALYZE

192192

/ELF contains the component formulas minus element counts

Molecular Formula:

C10HF19O2 . Na

/ELF Search Terms:

C H F O/ELFNa/ELF

193193

=> FILE REGISTRY

=> S C H F O/ELFL1 165685…

=> D SCAN

MF C8 H9 F O3

CHO

FOO

H

H

SRSS

194194

CF3 CF2 CO2H

CF3

CF3

What do you know about the element counts for the desired substances?What do you know about the element counts for the desired substances?

Exactly 2 O

Exactly 1 H

C>5

195195

=> S L1 (P) 1/H (P) 2/0 (P) C>5L2 683…

CO2H

CF3

F

FF

F F

F

F

F

FF

=> D SCAN

MF C9 H F13 O2

196196

Eliminating Ring-Containing SubstancesEliminating Ring-Containing Substances

=> S L2 NOT RSD/FAL3 418…

=> D SCANIN Heptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro- 7- [fluoro(pentafluoroethoxy)methoxy]- (9CI)MF C10 H F21 O2

(CF2)6CF2 CF3

F

F3C OCHO

197197

Focus on Free Acids and Simple Metal SaltsFocus on Free Acids and Simple Metal Salts

=> S L3 AND (ACID OR CARBOXY?)L5 309…

=> S L5 AND 1/NCL6 75..

=> S L5 AND M/ELS AND 2/NCL7 122..

=> S L6 OR L7L8 197..

198198

=> FILE CAPLUS

=> S L8/ADVL9 47...

199199

Which acids have been studied most heavily?

200200

=> SEL L9 1- HIT RNE1 THROUGH E8

=> D SEL E1-E8E1 36 335-76-2/BIE2 21 335-67-1/BIE3 3 375-85-9/BIE4 1 2058-94-8/BIE5 1 21049-38-7/BIE6 1 21049-39-8/BIE7 1 307-55-1/BIE8 1 375-95-1/BI

201201

=> FILE REGISTRY

=> S E1-E8L10 8…

=> D SCAN

202202

SummarySummary

/ELS - element symbols/ELS - element symbols/ELC.SUB - total number of elements/ELC.SUB - total number of elementsElement symbols and countsElement symbols and counts/ELF - elemental formula/ELF - elemental formula(L) elements in the same MF or AF(L) elements in the same MF or AF(P) elements in the same component(P) elements in the same component

203203

Find the boiling points at 760 Torr for Find the boiling points at 760 Torr for saturated, unsubstituted alkyl alcohols saturated, unsubstituted alkyl alcohols containing 10-20 carbon atoms.containing 10-20 carbon atoms.

Skills Practice

204204

=> fil reg

=> Uploading C:\Program Files\stnexp\Queries\bp.strchain nodes :1 2 chain bonds :1-2 exact/norm bonds :1-2 Hydrogen count :2:>= minimum 1 Connectivity :1:1 E exact RC ring/chain Match level :1:CLASS 2:CLASS Generic attributes :1: Saturation : Saturated Number of Carbon Atoms : 7 or more Element Count :Node 1: Limited C,C10-20 L1 STRUCTURE UPLOADED

Ak OM112

205205

=> l1SAMPLE SEARCH INITIATED 06:04:51SAMPLE SCREEN SEARCH COMPLETED - 919710 TO ITERATE 0.1% PROCESSED 1000 ITERATIONS 0 ANSWERSINCOMPLETE SEARCH (SYSTEM LIMIT EXCEEDED)SEARCH TIME: 00.00.01 FULL FILE PROJECTIONS: ONLINE **INCOMPLETE** BATCH **INCOMPLETE**PROJECTED ITERATIONS: EXCEEDS 1000000PROJECTED ANSWERS: EXCEEDS 0 L2 0 SEA SSS SAM L1

206206

=> c h o/elf and 1/nc and 10-20/c not rsd/fa and bp/fa(l)760 torr/bp.p L3 111360 C H O/ELF AND 1/NC AND 10-20/C NOT RSD/FA AND BP/FA . . . . => l1 full subset=l3FULL SUBSET SEARCH INITIATED 06:13:03FULL SUBSET SCREEN SEARCH COMPLETED - 111355 TO ITERATE 100.0% PROCESSED 111355 ITERATIONS 1692 ANSWERSSEARCH TIME: 00.00.02 L4 1692 SEA SUB=L3 SSS FUL L1 => d scan

207207

Find phosphinogold metallocenes similar to Find phosphinogold metallocenes similar to CAS RN 173962-72-6 containing Cu, Ag, or Au CAS RN 173962-72-6 containing Cu, Ag, or Au halides with two N.halides with two N.

Skills Practice

208208

CAS RN = 173962-72-6

P

CH2

NMe2

AuClEtO

NMe2

Fe

209209

1.1. Retrieve 173962-72-6 & display namesRetrieve 173962-72-6 & display names

2.2. Use nomenclature to retrieve metallocenesUse nomenclature to retrieve metallocenes

3.3. Delete 173962-72-6Delete 173962-72-6

4.4. Restrict results to Cu, Ag, and Au substancesRestrict results to Cu, Ag, and Au substances

5.5. Refine answers to those with one P, at least two Refine answers to those with one P, at least two N, and HalogensN, and Halogens

210210

=> S 173962-72-6; D

=> E LEFT OCENE/CNS

o o o

=> S ?OCEN?/CNS(L)?PHOSPHIN?/CNS

L2 7386 ?OCEN?/CNS (L) ?PHOSPHIN?/CNS

211211

B1 in the Periodic group field to include Cu,Ag, and Au.

=> S L2 NOT L1

L3 7385 L3 NOT L1

=> L3 and B1/PG

435602 B1/PG

L4 700 L3 AND B1/PG

212212

=> S L4 AND 1/P (P) N>=2 (P) X/ELS

1182154 P/ELS

8866295 N>=2

5498236 X/ELS

132618 P/ELS (L) N>=2 (L) X/ELS

L5 3 L4 AND (1/P (P) N>=2 (P) X/ELS)

213213

Ph

P CC

Fe

CH

CH

Fe

CH

CH

CH CH

CHCHCH

CH

CH

CHCH

CH CHCH

CH

CH

R

--

2+2+

--

PAGE 1-A

CF3Ag ON

N

S

O

OR

+ -

PAGE 2-A

214214

A company that specializes in the synthesis of carboxylic acids asks you to locate all of the new aliphatic carboxylic acids (since the beginning of 1999) that have preparative information reported for them.

The new aliphatic carboxylic acids have these characteristics:• >5 carbon atoms• Saturated or unsaturated• Carbon chain can be branched or straight, but no additional substitution on the acid chain• Salt forms are acceptable as long as it is the salt of a new acid and not a new salt form of a known acid

Skills Practice

215215

Identify CAS RN rangeIdentify CAS RN range

=> FILE REGISTRY

=> HELP RNYR

The highest CAS Registry Number on the file at the beginning of the year for each year since 1968 is shown below.

OOO

Jan 1978 65229-06-3 Jan 1995 159909-17-8 Jan 1979 68936-58-3 Jan 1996 172015-77-9 Jan 1980 72467-42-6 Jan 1997 184695-79-2 Jan 1981 76081-80-6 Jan 1998 199381-15-2 Jan 1982 80387-00-4 Jan 1999 216431-13-9Jan 1999 216431-13-9 Jan 1983 84081-56-1 Jan 2000 252063-50-6 Jan 1984 88343-58-2

OOO

216216

=> C H O/ELF(P)C>5(P)2/O and acid/ins.hp and no rsd/fa and nc=1 not (pms/ci or ester) RAN=216431-13-9,

L1 3954 C H O/ELF(P)C>5(P)2/O AND . . . . . . .

(CH2)8Et CO2HCH CH CH2CHCH

(CH2)24(CH2)6MeHO2C

Z

Et

Me

Me Me

CO2HC CH2 CH

217217

=> sel rn L2 SEL L1 1- RN : 3954 TERMS => l2/crnL3 50 L2/CRN => l3 and nc=2 not pms/ciL4 30 L3 AND NC=2 NOT PMS/CI => l1 or l4L5 3984 L1 OR L4

218218

=> fil caplus => l5(l)spn/rlL6 232 L5(L)SPN/RL => d bib hitstr. . . . . . . . . . . . . . . . . . .

(CH2)4Me CO2HCC C

H

H R

(CH2)4Me CO2HCC C

H

H S

219219

Locate references discussing the use Locate references discussing the use of metallocene catalysts to prepare of metallocene catalysts to prepare alpha-olefin polymers with high alpha-olefin polymers with high degree of stereoregularitydegree of stereoregularity

220220

=> polyolefin/pctL1 30468 POLYOLEFIN/PCT => Uploading C:\Program Files\Stnexp\Queries\alpha.str

L2 STRUCTURE UPLOADED => dL2 HAS NO ANSWERSL2 STR

CH2

CH

221221

=> l2 full subset=l1FULL SUBSET SEARCH INITIATED 13:08:23FULL SUBSET SCREEN SEARCH COMPLETED - 28263 TO ITERATE 100.0% PROCESSED 28263 ITERATIONS 24322 ANSWERSSEARCH TIME: 00.00.01 L3 24322 SEA SUB=L1 SSS FUL L2 => l3 and 2/elc.sub 293547 2/ELC.SUBL4 3119 L3 AND 2/ELC.SUB

222222

=> m/rel(s)nrrs>=5(s)c/rel(s)m/rel(s)2/relc

L7 181648 M/REL(S)NRRS>=5(S)C/REL(S)M/REL (S)2/RELC

=> d scan

223223

Ac

Me NC

C CHC

Fe

CH

CH

CCH

CH

CHCH

CHCH

-

2+

-

OEtMe

C OMo

N

CH

CH

CHCH CH

CH

CH

CH

O

C

O

2+

-

-

+

224224

=> fil caplus=> d his

FILE 'REGISTRY' ENTERED AT. . . L1 30468 POLYOLEFIN/PCTL2 STRUCTURE UPLOADEDL3 24322 L2 FULL SUB=L1L4 3119 L3 AND 2/ELC.SUB. . . . . . . . . . . . . . . . . L7 181648 M/REL(S)NRRS>=5(S)C/REL(S) M/REL(S)2/RELC

225225

=> l4 or alpha(a)(olefin? or alken?)

L8 193353 L4 OR ALPHA(A)(OLEFIN? OR ALKEN?)

226226

=> l7 or ?ocene? or sandwich

L9 118624 L7 OR ?OCENE? OR SANDWICH

227227

=> (polym? or oligomer?)(2a)catal? L10 114640 (POLYM? OR OLIGOMER?)(2A)CATAL? => (stereo? or isotac? or syndio?)

L11 215179 (STEREO? OR ISOTAC? OR SYNDIO?)

228228

=> d his FILE 'REGISTRY'L1 30468 POLYOLEFIN/PCTL2 STRUCTURE UPLOADEDL3 24322 L2 FULL SUB=L1L4 3119 L3 AND 2/ELC.SUB. . . . . . . . . . . . . . .L7 181648 M/REL(S)NRRS>=5(S)C/REL(S)M/REL (S)2/RELC FILE 'CAPLUS'L8 193353 L4 OR ALPHA(A)(OLEFIN? OR ALKEN?)L9 118624 L7 OR ?OCENE? OR SANDWICHL10 114640 (POLYM? OR OLIGOMER?)(2A)CATAL?L11 215179 (STEREO? OR ISOTAC? OR SYNDIO?)

229229

=> l9(l)l10 and l8(l)l11 8512 L9(L)L10 14861 L8(L)L11L12 1002 L9(L)L10 AND L8(L)L11 => d kwic

230230

IT Polymerization catalysts (metallocene; manufg. of stereoregular polypropylene using zirconocene catalysts)IT 29160-11-0P, Ethylene-propylene syndiotactic copolymer 56453-76-0P, Ethylene-propylene isotactic copolymer RL: IMF (Industrial manufacture); PRP (Properties); PREP (Preparation)(manufg. of stereoregular polypropylene and ethylene-propylene copolymers using zirconocene catalysts)IT 25085-53-4P, Isotactic polypropylene 26063-22-9P , Syndiotactic polypropylene RL: IMF (Industrial manufacture); PRP (Properties); PREP (Preparation)(manufg. of stereoregular polypropylene using zirconocene catalysts)

231231

What has been reported in from 1997 on the use of chlorinated polystyrene in resists?

Skills Practice

232232

Searching programSearching program:

Chlorination of polystyrene

Homopolymers Chlorinated

Copolymers Chlorinated (all)

SRUs Chlorinated

233233

Chlorination of polystyreneChlorination of polystyrene

=> styrene/cnL1 1 STYRENE/CN

=> polystyrene/cnL2 1 POLYSTYRENE/CN

234234

=> fil caplus

=> l1/d(l)?poly?(l)chlor? or l2/d(l)chlor?

L4 1532 L1/D(L)?POLY?(L)CHLOR? OR L2/D(L)CHLOR?

235235

=> e resists/ctE# FREQUENCY AT TERM-- --------- -- ----E13 0 8 RESISTORS (L) PHOTORESISTORS/CTE14 0 7 RESISTORS (L) THICK- FILM/CTE15 21825 30 --> RESISTS/CT. . . . . . . . . . . .

236236

=> e e15+allE25 9055 BT2 Materials/CTE26 22859 BT1 Recording materials/CTE27 21825 --> Resists/CT HN Valid heading during volume 66 to present.E28 204 OLD Masking/CTE29 UF Masks/CTE30 567 NT1 Electron beam resists/CT. . . . . . .. . . . . . . . . . . . .

237237

=> e27+uf,old,ntL7 32624 RESISTS+UF,OLD,NT/CT (22 TERMS) => l4 and l7L8 107 L4 AND L7 => l8 and py>1996 4530861 PY>1996L9 2 L8 AND PY>1996

238238

=> d hit 1-2 L9 ANSWER 1 OF 2 CAPLUS COPYRIGHT 2002 ACS PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- --------------- --------PI JP 05094023 A2 19930416 JP 1991-281852 19911003 <-- JP 3023882 B2 20000321IT Resists (multilayer, with chem. amplification top layer resist, bottom layer resist for)IT 9003-53-6, Polystyrene 9003-53-6D, Polystyrene, chloromethylated

L9 ANSWER 2 OF 2 CAPLUS COPYRIGHT 2002 ACS PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- --------------- --------PI WO 8901187 A1 19890209 WO 1988-JP691 19880711 W: KR, US RW: AT, BE, CH, DE, FR, GB, IT, LU, NL, SE JP 01031156 A2 19890201 JP 1987-185480 19870727 <-- JP 2641452 B2 19970813 EP 328655 A1 19890823 EP 1988-906082 19880711 EP 328655 B1 19940601 R: DE, FR, GB US 4954424 A 19900904 US 1988-295209 19881220IT Resists (x-ray, graft polymerizable, patterning using)IT 9003-53-6D, Polystyrene, chlorinated

239239

=> Styrene/ct(l)?poly?(l)chlor? or polystyrene/ct(l)chlor?

L10 4310 STYRENE/CT(L)?POLY?(L)CHLOR? OR POLYSTYRENE/CT(L)CHLOR?

=> l10 and l7L11 113 L10 AND L7

=> l11 and py>1996 4574486 PY>1996L12 3 L11 AND PY>1996

240240

Homopolymers Homopolymers ChlorinatedChlorinated

=> pms/ci and nc=1 and (c h cl or c cl)/elf(p)8/c and (benzene/ins.hp(l)ethen?/ins.nhp or styrene/ins.hp)

L3 23 PMS/CI AND NC=1 AND (C H CL OR C CL)/ELF(P)8/C AND (BENZENE/INS.HP(L) ETHEN?/INS.NHP OR STYRENE/INS.HP)

241241

CN Benzene, chloroethenyl-, homopolymer, syndiotactic (9CI) (CA INDEX NAME) CM 1

ClD1

CHD1 CH2

CN Benzene, pentachloroethenyl-,homopolymer(9CI)(CA INDEX NAME)OTHER NAMES:CN Poly(2,3,4,5,6-pentachlorostyrene) CM 1

Cl

Cl

Cl

Cl

Cl

CH CH2

242242

Copolymers Copolymers ChlorinatedChlorinated

=> pms/ci and (c h cl or c cl)/elf(p)8/c and nc>1 and 2-3/elc.sub and (styren?/ins.hp or benzen?/ins.hp(l)ethen?/ins.nhp)

L1 126 PMS/CI AND (C H CL OR C CL)/ELF(P)8/C AND NC>1 AND 2- 3/ELC.SUB AND (STYREN?/INS.HP OR BENZEN?/INS.HP(L)ETHEN?/INS.NHP)

But both monomers must be chlorinatedBut both monomers must be chlorinated

=> l1 not c h/elf 309145 C H/ELFL2 21 L1 NOT C H/ELF

243243

SRUs ChlorinatedSRUs Chlorinated

=> (c h cl or c cl)/elf(p)8/c and nc=1 and ("poly("?/hp or sru)(l)phenylen?(l)ethan?

L6 11 (C H CL OR C CL)/ELF(P)8/C AND NC=1 AND "POLY("?/HP(L)PHENYLEN?(L)ETHAN?

1 REGISTRY Dictionary. 2 Find Jasmonate-like compounds: Their effect, on paclitaxel and baccatin III production, in cultured cells from Taxus species.

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