Beilstein Database - Reactions [391,381]

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	391,381
Beilstein Database - Reactions
ONTAP^Ž Beilstein Database - Reactions (File 381)

Last Loaded on Web: Thursday, May 01, 2008

Last Update To Bluesheet: October 1, 2004

Bluesheet Contents PDF version

File Description	Dialog File Data	Special Features	Sample Record	Rank
Subject Coverage	Related Search Aids	DIALINDEX/OneSearch Categories	Basic Index	Map
Sources	Document Types Indexed	Contact	Additional Indexes	Predefined Format Options
Tips	Geographic Coverage	Terms and Conditions	Limit	Rates

File Description [top]

Beilstein Database - Reactions, a companion file to Beilstein Database - Facts, File 390, and Beilstein Database - Abstracts, File 393, consists of the preparations and chemical reactions associated with the substances in File 390.

Tips [top]

USE FILE 391

to find the preparation of a specific substance or the chemical reactions in which a specific substance is a reactant or product.

USE /REACTANT

to search a Beilstein Registry Number as a reactant

SELECT BN=109869/REACTANT

USE /PRODUCT

to search a Beilstein Registry Number as a product

SELECT BN=103233/PRODUCT

USE MAP BP

to create a SearchSave of the Beilstein Registry numbers of the products in the reaction for further searching in File 390

MAP BP T; B 390; EXS

USE MAP BR

to create a SearchSave of the Beilstein Registry numbers of the reactants in the reaction for further searching in File 390

MAP BR T; B 390; EXS

Subject Coverage [top]

Coverage in Beilstein Database - Reactions includes organic reactions classified as:

Chemical Behaviour
Chemical Behaviour (Half Reaction)
Multistage
Multistage (Half Reaction)
Preparation
Preparation (Half Reaction)

Substances for which these reactions are reported must contain Carbon and may also contain any of the following elements from the Periodic Table:

Group I: H, Li, Na, K, Rb, CS
Group II: Mg, Ca, Sr, Ba
Group III: B
Group IV: C, Si
Group V: N, P, As
Group VI: O, S, Se, Te
Group VII: F, Cl, Br, I

Sources [top]

Reaction data in Beilstein Database - Reactions comes from the following three sources:

1. The Beilstein Handbook of Organic Chemistry from the Basic Series to Supplement IV covering the literature from 1771 to 1959. Handbook data is available for the reactions of more than 1.1 million compounds.

2. Primary literature (books, journals, patents) published from 1960 to 1979. Reaction data for about 3 million compounds includes reactants, products, reaction classification and references.

3. Primary literature (176 journals) published from 1980 forward. Detailed reaction data is available for the substances reported in these sources. The yearly growth is approximately 220,000 reactions.

Dialog File Data [top]

Dates Covered:	1771 - 2003 (File 381) 1771 to the present (File 391)
File Size:	53,057 records (File 381) 9,510,000 records as of September 2004 (File 391)
Update Frequency:	Closed (File 381) Quarterly Approx. 55,000 reactions (File 391)

Related Search Aids [top]

Document Types Indexed [top]

Journal Articles
Patents
Books

Geographic Coverage [top]

International

Geographic Restrictions [top]

None

Special Features [top]

ERA Available
Graduate Education Program
KWIC and HILIGHT Available
All words are indexed including stop words
Chemical name segmentation available
Kwic and hilight available
MAP available
RANK available

DialIndex/OneSearch Categories [top]

ACRONYM	CATEGORY NAME
BIOSCI	Biosciences
CHEMPROP	Chemical Properties
CHEMSUBS	Chemical Substances
CHEMTAPS	Chemistry ONTAPS
ONTAPS	Online Training And Practice

Contact [top]

Beilstein Database - Reactions is produced by the Beilstein Institute zur Foerderung der Chemischen Wissenschaften. Questions concerning file content should be directed to:

Dialog
The Knowledge Center
11000 Regency Parkway, Suite 10
Cary, NC 27511

Telephone:	919-462-8600
800 Line:	800-334-2564
Fax:	919-468-9890
E-Mail:	dialogcustomer@thomson.com

Terms and Conditions [top]

ONTAP is the registered trademark of Thomson Reuters.

The data contained in the database is generated by excerpting various literature. Neither Beilstein GmbH nor MDL Information Systems GmbH accept any liability for the correctness of the excerption nor the correctness of the data itself.

Dialog Standard Terms & Conditions apply.

SAMPLE RECORD [top]

	`DIALOG(R)File 391:Beilstein Database - Reactions`
	`(c) Beilstein GmbH. All rts. reserv.`

ID=	`Reaction Id: 9178597`
	`Reactants`
BN=, /CN, CN=	`BN=1071742 2-methyl-3-oxo-butyric acid ethyl ester`
REACTANT=	`BN=9259763 6-chloro-2-methylamino-3-nitro-benzonitrile`
	`Products`
BN=	`BN=9278164`
/CN, CN=. PRODUCT=	`2-(2-cyano-3-methylamino-4-nitro-phenyl)-2-methyl-3-oxo-butyric`
	`acid ethyl ester`
NR=	`No. of Reaction Details: 3`
	`Reaction Details`
CL=	`Classification: Preparation`
YD=	`Yield: 80 percent (BN=9278164)`
REAGENT=	`Reagent: Cs2CO3`
SOLVENT=	`Solvent: dimethylformamide`
TEMP=	`Temp: 20 C (Ref. 1)`
	`Classification: Chemical behaviour`
	`Reagent: Cs2CO3`
	`Solvent: dimethylformamide`
TM=	`Time: 6 hour(s)`
	`Temp: 20 C`
	`Subject Studied: Product distribution`
	`Prototype Reaction: Further Variations: Reagents Solvents Temperatures`
	`(Ref. 1)`
	`Classification: Multistage`
	`Yield: 60 percent (BN=9278164)`
NS=	`No. of Stages: 2`
	`Stage 1:`
	`Reagent: t-BuOK`
	`Solvent: dimethylsulfoxide`
	`Stage 2:`
	`Solvent: dimethylsulfoxide`
	`Time: 1 hour(s)`
BN=	`Reactant BN: 9259763`
REACTANT=	`Reactant: 6-chloro-2-methylamino-3-nitro-benzonitrile (Ref. 2)`
	`References`
RF=, BA=, AU=	`1, 6368675 Snow, Roger J. ; Butz, Tanja ; Hammach, Abdelhakim ; Kapadia,`
	`Suresh ; Morwick, Tina M. ; Prokopowicz, Anthony S. ; Takahashi,`
	`Hidenori ; Tan, Jonathan D. ; Tschantz, Matt A. ; Wang, Xiao-Jun`
TI=	`Isoquinolinone synthesis by S N Ar reaction: a versatile route to`
	`imidazo 4,5-h isoquinolin-9-ones TELEAY ; Tetrahedron Lett. ;`
	`43-42(2002)7553 - 7556;`
	`2, 6399906 Goldberg, Daniel R. ; Butz, Tanja ; Cardozo, Mario G. ;`
	`Eckner, Robert J. ; Hammach, Abdelhakim ; Huang, Jessica ; Jakes,`
	`Scott ; Kapadia, Suresh ; Kashem, Mohammed ; Lukas, Susan ; Morwick,`
	`Tina M. ; et al. Optimization of`
	`2-Phenylaminoimidazo 4,5-h isoquinolin-9-ones: Orally Active`
	`Inhibitors of lck Kinase JMCMAR ; J.Med.Chem. ; 46-8(2003)1337 -`
	`1349;`

BASIC INDEX [top]

SEARCH SUFFIX	DISPLAY CODE	FIELD NAME	INDEXING	SELECT EXAMPLES
None	None	All Basic Index Fields¹	Segment & Word	S AMINO S BUTYRIC(W)ACID
/BP	BP	Chemical Name of Product²	Segment & Word & Phrase	S AMINO/BP S AMINO(S)NITRO(S)PHENYL/BP S 2-(2-CYANO-3-METHYLAMINO?/BP
/BR	BR	Chemical Name of Reactant²	Segment & Word & Phrase	S CHLORO/BR S CHLORO(S)METHYLAMINO/BR S 6-CHLORO-2-METHYLAMINO?/BR
/CATALYST	RD	Catalyst²	Segment & Word & Phrase	S CHLORO/CATALYST S TRIS(W)PHENYLPHOSPHINE/CATALYST S CHLOROTRIS(TRIPHENYL?/CATALYST
/CN	BP, BR	Chemical Name²	Phrase & Word	S 2-METHYL-3-OXO-BUTYRIC? S BENZONITRILE/CN S BUTYRIC(W)ACID(W)ETHYL(W)ESTER/CN
/COMMENT	RD	Comment	Segment & Word	S CHLORO/COMMENT S OPTICALLY(W)INACTIVE/COMMENT
/PRODUCT	BP	Product²	Segment & Word & Phrase	S CYANO/PRODUCT S OXO(W)BUTYRIC/PRODUCT S 2-(2-CYANO-3-METHYLAMINO?/PRODUCT
None	RD	Classification²	Word	S PREPARATION
None	RD	Classification²	Phrase	S MULTISTAGE (HALF REACTION)
None	RD	Conditions	Segment & Word	S ARYL S TRIMETHYL
None	RD	Conditions	Phrase	S MICROWAVE IRRADIATION
None	RD	Prototype Reaction	Word	S SOLVENTS S FURTHER(W)VARIATIONS
None	RD	Prototype Reaction	Phrase	S FURTHER VARIATIONS?
None	RD	Reaction Type	Word	S GRIGNARD
None	RD	Reaction Type	Phrase	S GRIGNARD ADDITION
None	RD	Subject Studied	Word	S PRODUCT(W)DISTRIBUTION
None	RD	Subject Studied	Phrase	S PRODUCT DISTRIBUTION
/REACTANT	BR	Reactant	Segment & Word & Phrase	S NITRO/REACTANT S OXO(W)BUTYRIC(W)ACID/REACTANT S 6-CHLORO-2-METHYL?/REACTANT
/REAGENT	RD	Reagent	Segment & Word & Phrase	S CS2CO3/REAGENT S BUOK/REAGENT S T-BUOK/REAGENT
/SOLVENT	RD	Solvent	Segment & Word & Phrase	S SULFOXIDE/SOLVENT S METHYL(W)SULFOXIDE/SOLVENT S DIMETHYLSULFOXIDE/REAGENT

¹Chemical substance names are segmented in all Basic Index fields; for example, DICHLOROHEXANE is retrieved when searched as a single term or by searching the segments: DI, CHLORO, HEXANE or CHLOROHEXANE. To exclude the segments use the /FW suffix; e.g., S HEXANE/FW to retrieve the word set off by spaces or punctuation marks.

²Searchable in the Basic Index and in the Additional Indexes.

ADDITIONAL INDEXES [top]

SEARCH PREFIX	DISPLAY CODE	FIELD NAME	INDEXING	SELECT EXAMPLES
AU=	RF	Author	Phrase	S AU=SNOW, ROGER J?
BA=	RF	Beilstein Abstract Id	Numeric	S BA=1071742
BN=	BN	Beilstein Registry Number	Numeric	S BN=1071742
BN=	BP	Beilstein Registry Number of Product	Numeric	S BN=9278164/BP S BN=9278164/PRODUCT
BN=	BR	Beilstein Registry Number or Reactant	Numeric	S BN=1071742/BR S BN=9259763/REACTANT
CATALYST=	RD	Catalyst	Word & Phrase	S CATALYST=NI S CATALYST=(RANEY(N)NI)
CD=	RF	CODEN	Phrase	S CD=TELEAY
CL=	RD	Reaction Classification	Phrase	S CL=PREPARATION
CN=	BP	Chemical Name of Product	Phrase	S CN=2-(2-CYANO-3-METHYLAMIN?/BP
CN=	BR	Chemical Name of Reactant	Phrase	S CN=2-METHYL-3-OXO-BUTYRIC?/BR
CN=	CN	Chemical Name	Phrase	S CN=2-METHYL-3-OXO-BUTYRIC?
DP=	None	Data Present Code	Phrase	S DP=RX.Y
DPN=	None	Data Present Name	Phrase	S DPN=REACTION YIELD
DT=	None	Document Type	Phrase	S DT=PATENT
ID=	ID	Reaction Id	Numeric	S ID=9178597
JN=	RF	Journal Name	Phrase	S JN=TETRAHEDRON LETT?
NF=	None	Number of References	Numeric	S NF=2
NR=	None	Number of Reactions	Numeric	S NR=3
NS=	None	Number of Stages	Numeric	S NS=2
PA=	RF	Patent Assignee	Phrase	S PA=SYNTEX?
PC=	RF	Patent Country	Phrase	S PC=EP
PH=	RD	pH³	Numeric	S PH=6.5
PN=	RF	Patent Number	Phrase	S PN=EP 13786
PRES=	RD	Pressure³	Numeric	S PRES=.2
PRODUCT=	BP	Product²	Phrase	S PRODUCT=2-(2-CYANO-3-METHYLAMINO?
None	RD	Reaction Details
REACTANT=	BR	Reactant²	Phrase	S REACTANT=2-METHYL-3-0X0-BUTYRIC?
REAGENT=	RD	Reagent²	Word & Phrase	S REAGENT=BUOK S REAGENT=T-BUOK
RF=	RF	Reference Number	Numeric	S RF=1
SOLVENT=	RD	Solvent²	Word & Phrase	S SOLVENT=DIMETHYLSULFOXIDE S SOLVENT=ACETIC ACID
TEMP=	RD	Temperature³	Numeric	S TEMP=20
TI=	RF	Title²	Word & Phrase	S TI=(INHIBITOR?(2W)KINASE) S TI=OPTIMIZATION OF 2-PHENYLAMINO?
TM=	RD	Time	Word & Phrase	S TM=6 S TM=6 HOUR?
UD=	None	Update	Phrase	S UD=9999
YD=	RD	Yield (percent)	Numeric	S YD=60

³Numeric values can be entered in several different ways: directly as a number, i.e., S TEMP=100.0; in exponential notation, i.e., S TEMP=1E2. Letter abbreviations are also available: K for thousand, M for million, B for billion, e.g., S TEMP=0.5K:1.0K. To search a range of values, use a colon between starting and ending values, e.g., S TEMP=75:80, OR use numeric operators (>, <, >=, and <=), e.g., S 75<=TEMP<=80.

LIMIT [top]

SUFFIX	FIELD NAME	EXAMPLES
Sets and terms may be limited by Basic Index suffixes, i.e., /AB, /DE, /SH, /TI, (e.g., SELECT S4/TI).
/	DIALOG Accession Number	S S1/5000000-9999999
/CATALYST	CATALYST in Reaction Details. Apply to subject terms.	S NI/CATALYST
/COMMENT	COMMENT in Reaction Details. Apply to subject terms.	S CHLORO/COMMENT
/ENDPOINT	Single value or beginning or end value of a range of values. Apply to numerical values that may be reported as ranges.	S TEMP=20/ENDPOINT
/FW	Full word; unsegmented.	S BENZENE/FW
/HIGH	Single value or high value of a range of values. Apply to numerical values that may be reported as ranges.	S TEMP=20/HIGH
/LOW	Single value or low value of a range of values. Apply to numerical values that may be reported as ranges.	S PRES=.2/LOW
/MIDPOINT	Intermediate value in a reported range of values. Apply to numerical values that may be reported as ranges.	S PRES=.1/MIDPOINT
/PRODUCT	PRODUCT in Reaction Details. Apply to subject terms or Beilstein Registry Number.	S METHYLAMINO/PRODUCT S BN=9278164/PRODUCT
/REACTANT	REACTANT in Reaction Details. Apply to subject terms or Beilstein Registry Number.	S BUTYRIC(W)ACID/REACTANT S BN=9259763/REACTANT
/REAGENT	REAGENT in Reaction Details. Apply to subject terms.	S CS2CO3/REAGENT
/SOLVENT	SOLVENT in Reaction Details. Apply to subject terms.	S DIMETHYLFORMAMIDE/SOLVENT

RANK [top]

RANK FIELDS	EXAMPLES
All phrase- and numeric-indexed fields in the Additional Indexes can be ranked.	RANK REACTANT RANK TM S4

MAP [top]

MAP FIELDS	EXAMPLES
BA, BN, BP, BR, PN	MAP PN TEMP S2

USER-DEFINED FORMAT OPTIONS [top]


Display codes listed in the Search Options tables can be used to customize output.	TYPE S3/BR,BP,RD/ALL

PREDEFINED FORMAT OPTIONS [top]

NO.	DIALOGWEB FORMAT	RECORD CONTENT
1	--	DIALOG Accession Number
2	--	Reaction Id, Reactants, Products, No. of Reactions, References
3	Medium	Reaction Id, Reactants, Products, No. of Reactions, No. of References
4	--	Full Record
5	--	Full Record
6	Free	Reaction Id, Reactants, Products
7	Long	Full Record
8	Short	Reaction Details
9	Full	Full Record
K	--	KWIC (Key Word In Context) displays a window of text; may be used alone or with other formats

DIRECT RECORD ACCESS [top]

FIELD NAME	EXAMPLES
If the accession number of a specific record is known, it can be used to display the record directly.	TYPE 9178597/9 DISPLAY 9036249/RD PRINT 1285/9

Rates [top]

Rates For File: Beilstein Database - Reactions[391]
Cost per DialUnit:                 $0.00
Cost per minute:                   $0.00
Rank Elements                      $0.00

Format    Types   Prints
     1    $0.00    $0.00
     2    $2.17    $2.17
     3    $1.08    $1.08
     4    $3.25    $3.25
     5    $3.25    $3.25
     6    $0.00    $0.00
     7    $3.25    $3.25
     8    $1.08    $1.08
     9    $3.25    $3.25
KWIC95    $1.08       NA
KWIC96    $1.08       NA

REDIST/COPY Multiplier Table:

      Range      Multiplier
        1-2       1.00
       3-25       1.50
     26-100       3.00
    101-200       4.00
    201-500       6.00
   501-1000       8.00
 1001 or more    10.00

ARCHIVE Multiplier Table:

      Range      Multiplier
       1-25       1.50
     26-200       3.00
    201-500       6.00
   501-1000       8.00
 1001 or more    10.00

[top]