Reaction product CASREACT

CASREACT . 1840-. Columbus, OH Chemical Abstracts Service. Weekly. Contains single-step and multistep reaction information from journals and patent documents. Information consists of structure diagrams for reactants and products, CAS Registry numbers for all compounds listed, textual reaction information. Available online. 

Bob Dana and colleagues at Chemical Abstracts Service presented a poster on the machine generation of multi-step reactions for the CASREACT system on STN International. The online version of FIZ s Cheminform database will be available on STN International also. Alex Parlow gave a poster presentation on the creation of Cheminform both as an electronic database (for onhne and in-house use) and as a printed product. 

Other useful databases available from STN include Beilstein and CASREACTS. As described in Section 29.10, Beilstein is very useful to organic chemists. Currently, there are more than 3.5 million compounds listed in the database. You can use the CAS Numbers to help in a search that has the potential of going back to 1830. CASREACTS is a chemical reactions database derived from over 100 journals covered by Chemical Abstracts, starting in 1985. With this database, you can specify a starting material and a product using the CAS Numbers. Further information on CA Online, Beilstein, CASREACTS, and other databases can be obtained from the following references ... 

Casreact has over 140000 document records with more than 1 million reactions. It contains information on reactions of organic substances, including organometallics and biomolecules, and single- and multi-step reaction information for reactants, products, reagents, solvents, and catalysts. 

Substructure searching of explicit reaction schemes has been implemented in the CASREACT system by enumerating all the individual reactions and indexing them individually. The application of reaction substructure searching techniques to query implicit reaction schemes (where the product of one reaction is the reactant of another in the database) and analogous reaction schemes (where the reaction center of a reactant in one reaction is present in the product of another) has also been explored. ... 

Unlike the database CA, solvents and catalysts are awarded Registry Numbers in CASREACT. If you search for this Registry Number in the text field, the substance may be involved in the reaction as a reactant, product, reagent, solvent or catalyst. The Registry Number is searched for in the field Reaction... 

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