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
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.