LCASREACTSM (Learning CASREACT)
Subject
Coverage• A training reaction database for learning how to use the CASREACT File.
• CAS database of reactions derived from journals covered in CA from 1985 to thepresent and patents from January 1991 to the present.

File Type

Reactions, Training

Features

Alerts (SDIs)

Unavailable

CAS Registry®
Number Identifiers

Learning DatabaseKeep & Share



SLART



RecordContent

LCASREACT is a static file that contains 471 documents selected from the CASREACT
File, with reaction information derived from journals covered in the Organic Sections ofChemical Abstracts (CA) from 1985 to 1988. The CA Abstract Number is the Accession
Number in the file. The document-based file contains both single-step and multistep
reactions.

File Size••••

Coverage1985 to 1988

Updates

None

Language

English

Database
Producer

Chemical Abstracts Service
2540 Olentangy River Road
P.O. Box 3012
Columbus, Ohio 43210-0012 USA
Phone: 800-753-4227 (North America)
Phone: 614-447-3700 (worldwide)Fax:
614-447-3751
Email: help@cas.org

471 records
Approximately 10,145 single-step reactions
Approximately 21,477 multistep reactions
Static file

February 2016

2
LCASREACT

Sources

Journals covered for CA from 1985 to 1988.

User Aids

•
•
•
•
•

Clusters

LEARNING
STN Database Clusters information (PDF).

RelatedDatabases

CASREACT

PricingEnter HELP COST at an arrow prompt.

February 2016

CASREACT User Guide
Getting Started in CASREACT
Search aids are available on the web: http://www.cas.org/training/stn/database-specific
Online HELPs (HELP DIRECTORY lists all HELP messages)
STNGUIDE

3
LCASREACT

Search and Display Field Codes
The fields that allow left truncation are marked with an asterisk (*).

Reaction Fields
Search Field Name

SearchCode

Search Examples

Display
Codes

Basic Index* (contains CAS
Registry Numbers for all
reactants, products, reagents,
solvents, and catalysts, andsingle words from the reaction
notes, the title, supplementaryterms, abstract, and index
terms) (1)None (or /BI
or /IA)S 50-00-0
S CYCLIZATION REACT?
S 13129-23-2(L)96695-24-8
S TAUTOMERISMS ?TOXIN?

RX formats, TI,
ST, IT, AB, NTE

Catalyst/CAT

RX formats

Functional Group in Product/FG.PRO

Functional Group in Reactant/FG.RCT

Functional Group in Reactant,
Reagent, or Product
Functional Group in Reagent/FG

S 104-15-4/CAT
S L1 (L) ANY/CATS NITRO/FG.PROS NITRO/FG.RCT (S) PRIMARY AMINE/FG.PROS CYCLIC ALC/FG.PRO (L) ALKYNE/FG.RGTS NITRO/FG.PRO (L) ANY/CATS TRIHALIDE/FG.RCTS AZIDE/FG.RCT (S) PRIMARY AMINE/FG.PRO
S AMIDE/FG.RCT,FG.RGTS ACETAL/FG.RCT (L) ANY/CATS PRIMARY AMINE/FG

RX formats

Functional Group Yield (2)/FG.YD

Functional Group Yield Data

/FG.YDT

NonProduct
Number of Steps (2)

/NPRO
/NS

Product
Reactant

/PRO
/RCT

Reactant or Reagent
Reaction Notes*

/RRT
/NTE

Reagent
Solvent/RGT/SOL

Yield (2)/YD

Yield Data/YDTS SULFONATE/FG.RGTS CYCLIC ALC/FG.PRO (L) ALKYNE/FG.RGTS AMIDE/FG.RCT,FG.RGT
S FG.YD>=95
S NITRO/FG.PRO (A) FG.YD>=50
S NONE/FG.YDTS (95/FG.YD OR NONE/FG.YDT)S HALIDE/FG.PRO (A) (95/FG.YD OR
NONE/FG.YDT)S 10025-87-3/NPROS NS>=2
S 109-99-9 (L) 71-43-2 (L) 1/NS
S 2577-41-5/PRO
S 999-97-3/RCTS 928-49-4/RCT (L) 114140-93-1/PRO
S 100-07-2/RRTS 40 DEGREE/NTE
S ?HYDRI?/NTE
S 74-88-4/RGT
S 64-17-5/SOL
S 64-17-5/SOL (L) CARBOXYLIC/FG.PRO
S 98/YD
S L1 (A) YD>50
S 117638-28-5/PRO (A) 95-100/YD
S 2577-41-5/PRO (A) (95-100/YD OR NONE/YDT)S NONE/YDTS L5 (A) (95-100/YD OR NONE/YDT)S 2577-41-5/PRO (A) (95-100/YD OR NONE/YDT)/FG.RGTRX formats

RX formats

RX formats

RX formats
Not displayed

RX formats
Not displayed
RX formats
RX formats
RX formats
RX formats
RX formats
RX formats
RX formats

Not displayed(1) CAS Registry Numbers are from the reaction information, not the IT terms.
(2) Numeric search field that may be searched with numeric operators or ranges.

February 2016

4
LCASREACT

Document Fields
SearchCode

Search Field Name
Abstract
Accession Number
AuthorCA Section Cross-Reference (1)

/AB
/AN
/AU
/SX

Classification Code (1) (contains
CA section-subsection number,
section title, and section group
codes)
Controlled Term

/CC

Controlled Word
Corporate Source (1)(organization name and location)

/CW
/CS

Country of Author
Document Type (code and text)

/CYA
/DT

Entry Date (2)Field Availability
File Segment
Index Term (3)International Standard (Document)
Number (contains CODEN and
ISSN)
Issue Number of Publication (2)Journal Title
Language (code and text)

/ED
/FA
/FS
/IT
/ISN

Publication Date (2)Publication Year (2)Source (contains publication title,date, publisher, volume, issue,
pagination, CODEN, and ISSN)
Supplementary Term
Title
Update Date (2)Volume and Issue of CA
Volume Number of Publication (2)

/PD
/PY
/SO

/CT

/IS
/JT
/LA

/ST
/TI
/UP
/VI
/VL

Display
Codes

Search Examples
S PHOTOLY?/AB
S 109:149648/AN
S EVANS D?/AU
S 24/CC,SXS CONDENSED BENZENOID/SX
S 24/CCS ALICYCLIC/CCS PHYSICAL ORGANIC/CC

AB
AN
AU
CC

S PORPHYRIN#/CT
S MICHAEL REACTION/CT
S POLYMER/CWS DOW/CSS MERRELL DOW/CS
S "DYSON PERRINS"?/CS
S USA/CYAS J/DTS JOURNAL/DT
S ED=930216
S DIA/FAS ORG/FS AND L1
S REACTION WITH/ITS JACSAT/ISN
S 0002-7863/ISN

CT, IT

S 1-3/ISS J AM CHEM SOC/JT
S L1 AND EN/LA
S L1 AND ENGLISH/LAS PD>870100
S 1987-1988/PY
S J AM CHEM/SOS JACSAT/SO
S 0002-7863/SO
S (ASYM (S) SYNTHESIS)/ST
S REDOX AGENT#/TI
S 930216/UP
S 107-25/VI
S 32-33/VL

SO
JT, SOLACC

CT, IT
CS, PA

CYA, CS, PA
DT
Not displayed
Not displayedFS
IT
ISN, SO

PI, SO
PY
SO

ST
TI
Not displayed
Not displayedSO(1) Search with implied (S) proximity is available in this field.
(2) Numeric search field that may be searched with numeric operators or ranges.
(3) There are no stopwords in this field.

Limiting Search Codes
Only an L-number for an answer set created in CASREACT may be limited.
Search Field Name
Answers completely iterated
Answers incompletely iterated(1) The code may be abbreviated to the first three letters.

February 2016

SearchCode/COMPLETE (1)/INCOMPLETE (1)SearchExampleS L4/COM
S L4/INC

5
LCASREACT

Structure Search Terms
Terms (1)

Search Examples

L-numbers of structures built using the STRUCTURE command or
uploaded from STN Express (Boolean logic allowed between theL-numbers)
L-numbers of screen sets created using the SCREEN command(Boolean logic allowed between the L-numbers)
L-numbers of structures built using the STRUCTURE command or
uploaded from STN Express combined with L-numbers ofscreen sets created using the SCREEN command (Boolean
logic allowed between the L-numbers)

SEARCH L1 CSS FUL
S L1 NOT L2
S L3 OR L4
S L1 NOT L3(1) The L-number answer set from a structure search may be combined with text terms, e.g., S L6 (L) ANY/CAT.

Type of Structure Searching
SearchDefinition

Type
Substructure (default)
Closed Substructure

Search for substances that match the query.
Substitution is allowed at all open positions.
Search for substances that match the query exactly.
Substitution is allowed at positions opened by
CONNECT.

Code
SSS
CSS

Search Examples
SEARCH L1 SSS FUL
S L2SEARCH L1 CSS FUL
SEA L4 CSS

Scopes of Structure Searches
To create an L-number answer set containing candidate structures that have passed the screening step ofyour structure search, enter EXTEND on the search command line or enter SET EXTEND ON or SET
EXTEND ON PERM at an arrow prompt (=>). For details, enter HELP SET EXTEND at an arrow prompt.
SearchDefinition

Type
Sample (1) (default)
Full Range
Subset Sample
Subset Range
Subset Full

Search a fixed 5% of the file.
Search 100% of the file. Search a user-specified portion of
the file.
Search a fixed sample of an answer set created by a searchin LCASREACT.
Search a user-specified portion of an answer set created bya search in LCASREACT.
Search 100% of an answer set created by a search in
LCASREACT.

Code

Search Examples

SAM
FUL
RAN
SUB SAMSEARCH L1 SAM SSS
S L5 SSS FUL
S L4 RAN=(V109)
S L9 SUB=L8 SAM

SUB RANS L12 SUB=L11
RAN=(V107,V108)
S L2 CSS SUB=L1 FULSUB FUL(1) EXTEND not valid with SAMPLE.

February 2016

6
LCASREACTDISPLAY and PRINT Formats
Any combination of display formats may be used to display answers. Multiple codes must be separated by
spaces or commas, e.g., D TI AU. The fields are displayed in the order requested.
Hit-term highlighting is available in all fields except compressed reaction displays. In reaction fields,
highlighting occurs in the Reaction Map and in the Reaction Summary. Highlighting must be ON in order to
use the CRD, CRDREF, FHIT, FCRD, FCRDREF, FPATH, FSPATH, HIT, OCC, PATH, RX, RXG, RXL, andSPATH formats.
The PRINT command is not valid in LCASREACT.

Reaction Formats
FormatContent

ExamplesCRD(n)CRDREF(n)RX(n)
RXG(n)
RXL(n)RXS(n)SSRX(n)Compact Display of Reaction n
Compact Display of Reaction n and SO, PY for Reference
Reaction n (Map, Diagram, Summary for reaction n)
Reaction n Graphics (Map and Diagram for reaction n)
Reaction n Long (Map, Diagram, Summary for all steps of reactions n)
Reaction n Summary (Map and Summary for reaction n)Single-Step Reaction n (Map, Diagram, and Summary for single-stepreaction n)

D CRD(1)D CRDREF(2)D RX(3), RX(5)D RXG(5)D RXL(8), RXL(13)D RXS(13)
D SSRX(n)ALL (1)DALL (1)
IALL (1)MAX
SSRX

BIB, ABS, IND, SSRX
ALL, delimited for post-processing
ALL, indented with text labels
Same as ALL
Single-Step Reactions (Map, Diagram, and Summary for all single-stepreactions)DISPLAY L2 1-7 ALL
DIS L1 DALL 1-3
D IALLD MAX
D SSRX

CRD
CRDREFFCRD
FCRDREF

Compact Display of All HIT Reactions
Compact Reaction Display and SO, PY for ReferenceFirst Hit Reaction in Compact Format
First Hit Reaction in Compact Format and SO, PY for Reference (FCRDREF
is the default)
First HIT Reaction Map, Diagram, and Summary
Full PATH - PATH plus Reaction Summary
Full SPATH - SPATH plus Reaction Summary
Reaction Map, Diagram, Summary for all hit reactions and fields containing
hit terms
All hit fields and the number of occurrences of the hit terms in each field.
Includes total number of HIT, PATH, SPATH reactions. Labels reactions
that have incomplete verifications.
Reaction Map(s) and Diagram(s) of longest PATH(s). Displays all hit
reactions except those whose steps are totally included within another hit
reaction.
Hit Reactions (Map, Diagram, Summary for all hit reactions)
Hit Reaction Graphics (Map and Diagram for all hit reactions)
Hit Reaction Long (Map, Diagram, Summary for all hit reactions)
Hit Reaction Summaries (Map and Summary for all hit reactions)
TI and FCRD (random display, no answer number
Reaction Map(s) and Diagram(s) for short PATH(s). Displays reactions having
a hit substance in the first and last step except for those whose steps aretotally included within

D CRD
D CRDREF 1-2
D FCRD 3-5
D FCRDREF 5

FHIT
FPATH
FSPATH
HIT
OCC

PATH

RX
RXG
RXL
RXS
SCAN (2)SPATH

D FHIT
D BIB FPATH
D FSPATH
D CBIB HIT
DIS 1-10 OCC

D PATHD TI RXD RXG CBIBDIS RXLD TI AU RXSD SCAND SPATH(1) Structure diagrams in abstracts in the GI (Graphics Image) field are available only on graphics terminals and in offline prints(2) No online display charge for this option. SCAN must be specified on the command line, i.e., D SCAN or DISPLAY SCAN.

February 2016

7
LCASREACT

Document Formats
FormatContent

Examples

AB
AN
AU
CC
CS
CT
CYA
DT
FS
GI (1)
ISN
IT
JT
LA
PY
SO
ST
SX (2)
TI

Abstract Text
Accession Number
AuthorClassification CodeCorporate Source
Controlled Term
Country Name of Author
Document Type
File Segment
Graphic Image or Availability Information
International Standard (Document) Number
Index Term
Journal Title
Language
Publication Year
Source (Name of journal, volume, issue, pages)
Supplementary Term
CA Section Cross-Reference Code
Title of Document

D AB
DISPLAY L2 1-10 AN
D AU TI
D CC
D AU CS
D CT
D CYA
D 1,5,10 DT
D FS
D GI
D ISN
D ST IT
D JT
D LA
D PY
D TI AU SO
D ST
D SX
D TI RXABS (1)ALL (1)
BIB
CAN
CBIB
DALL (1)
IND
SCAN
MAX
IABS (1)IALL
IBIB

GI, AB
BIB, ABS, IND, SSRX
AN, TI, AU, CS, SO, DT, LA
List of CA abstract numbers, no L-number header
AN, plus Compressed Bibliographic Data
ALL, delimited for post-processing
ST,IT
TI, FHIT (random display, no answer number) (3)ALL
ABS, with text labels
ALL, indented with text labels
BIB, indented with text labels

DIS 2,4,6 CBIB ABS
DISPLAY L2 1-7 ALL
D 1-3 BIBDISPLAY L1 1 CBIBDIS L1 DALL 1-3
D IND
D SCAND MAX
D IABSD IALLD IBIB(1) Structure diagrams in abstracts in the GI (Graphics Issue) field are available only on graphics terminals.
(2) SX displays all information in the CC field, i.e., CA section and section cross-references.
(3) SCAN must be entered on the same line as the command, e.g., D SCAN

February 2016

8
LCASREACT

SELECT and SORT Fields
The SELECT command is used to create E-numbers or an L-number containing terms taken from the specified field in ananswer set.

The SORT command is used to rearrange the search results in either alphabetic or numeric order of thespecified field(s).

Reaction Fields
Field NameAll Registry Numbers from Hit Reactions
All Registry Numbers from Reaction n
All Registry Numbers from Single-Step Reactions
All Registry Numbers from Single-Step Reaction n
Catalyst Registry Numbers from HIT Reactions
Catalyst Registry Numbers from Reaction n
Product Registry Numbers from Hit Reactions
Product Registry Numbers from Reaction n
Reactant Registry Numbers from Hit Reactions
Reactant Registry Numbers from Reaction n
Reagent Registry Numbers from Hit Reactions
Reagent Registry Numbers from Reaction n
Solvent Registry Numbers from Hit Reactions
Solvent Registry Numbers from Reaction n

February 2016

Field Code

SELECT(1)

SORT

RX
RX(n)
SSRX
SSRX(n)CAT
CAT(n)PRO
PRO(n)RCT
RCT(n)RGT
RGT(n)SOL
SOL(n)

Y
Y
Y
Y
Y
Y
Y
Y
Y
Y
Y
Y
Y
Y

N
N
N
N
N
N
N
N
N
N
N
N
N
N

9
LCASREACT

Document Fields
Field Name
Abstract Text
Accession Number
AuthorCA Classification CodeCA Section Cross-Reference Code
CODEN
Controlled Term
Corporate Source
Corporate Source, DivisionCorporate Source, Organization
Country of Author
Document Type
File Segment
Index Term
International Standard (Document) Number
International Standard Serial Number
Journal Title
Language
Occurrence Count of Hit Terms
Publication Date
Publication Year
Source of Document
Supplementary Term
Title of Document

Field Code

SELECT

AB
AN
AU
CC
SX
CODEN
CT
CS
CS.DIV
CS.ORG
CYA
DT
FS
IT
ISN
ISSN
JT
LA
OCC
PD
PY
SO
ST
TI

Y
Y
Y
Y
Y
Y (2)
Y
Y
Y
Y
Y
Y
Y
Y
Y (3)
Y (4)
Y
Y
N
Y
Y
Y
Y
Y

SORT
N
N
Y
Y
Y
Y
N
Y
N
N
Y
Y
Y
N
N
Y
Y
Y
Y
Y
Y
N
N
Y

(1) HIT may be used to restrict terms extracted to terms that match the search expression used to create the answer set, e.g., SEL HIT
AU.
(2) Selects CODEN and appends /ISN.
(3) Selects CODEN and ISSN and appends /ISN.
(4) Selects ISSN and appends /ISN.
(5) CAS Registry Numbers selected with /RX appended.
(6) CAS Registry Numbers selected with /SSRX appended.

February 2016

10
LCASREACT

Sample Records
DISPLAY FHIT CBIB
RX(13) OF 42 COMPOSED OF RX(1), RX(2)RX(13)***A***===>***E***

RX(1)

RCT

A

***2553-17-5***
RGT C 16940-66-2 NaBH4
PRO B 3788-56-5
SOL 123-91-1 Dioxane

RX(2)

RCT

B 3788-56-5
RGT
PRO
CAT

F 67-56-1 MeOH
E***34957-73-8******7664-93-9***
H2SO4

CA107(25):237159z Synthesis of phospholipids suitable for covalentbinding to surfaces. Kallury, R. Krishnamohanrao; Krull, Ulrich J.;
Thompson, Michael (Dep. Chem., Univ. Toronto, Toronto, ON M5S 1A1,
Can.). J. Org. Chem., 52(24), 5478-80 (Eng) 1987. CODEN: JOCEAH.
ISSN: 0022-3263.
DISPLAY FCRDREF

In North America
CAS
STN North America
P.O. Box 3012
Columbus, Ohio 43210-0012 U.S.A.
CAS Customer Center
Phone: 800-753-4227 (North America)
614-447-3700 (worldwide)Fax:
614-447-3751
Email:
help@cas.org
Internet: www.cas.org

February 2016

In Europe
FIZ Karlsruhe
STN Europe
P.O. Box 2465
76012 Karlsruhe
Germany
Phone: +49-7247-808-555
Fax:+49-7247-808-259
Email:
helpdesk@fiz-karlsruhe.de
Internet: www.stn-international.com

In Japan
JAICI (Japan Association forInternational Chemical Information)
STN Japan
Nakai Building
6-25-4 Honkomagome, Bunkyo-ku
Tokyo 113-0021, Japan
Phone: +81-3-5978-3601 (Technical Service)+81-3-5978-3621 (Customer Service)
Fax:+81-3-5978-3600
Email:
support@jaici.or.jp (Technical Service)customer@jaici.or.jp (Customer Service)
Internet: www.jaici.or.jp