COMPREHENSIVE SYSTEM FOR CLASSIFICATION AND NOMENCLATURE OF ORGANIC-REACTIONS

Authors
Citation
Jb. Hendrickson, COMPREHENSIVE SYSTEM FOR CLASSIFICATION AND NOMENCLATURE OF ORGANIC-REACTIONS, Journal of chemical information and computer sciences, 37(5), 1997, pp. 852-860
Citations number
20
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
ISSN journal
00952338
Volume
37
Issue
5
Year of publication
1997
Pages
852 - 860
Database
ISI
SICI code
0095-2338(1997)37:5<852:CSFCAN>2.0.ZU;2-I
Abstract
Previous authors' ideas on reaction classification have been incorpora ted into a unified and comprehensive system to record the bonding chan ge in any reaction. The system offers a ''reaction logo'' as a single drawing of the bonding change at the reaction center. It also provides a smooth hierarchy of increasing detail from the two monocyclic basic forms (homovalent and ambivalent), through their subclasses of unchan ging shell cr-bonds on the reaction center, to the full detail elf the individual atom types in the reaction center. A simple linear notatio n incorporates all of this information in a form such as -3(L)[OCCCOH] , for the reaction center of the aldol reaction.