RENE (REACTION GENERATOR) - A PROGRAM TO PROPOSE NEW REACTIONS BY CONSTRUCTION OF ISOMERS AND RELATED REACTIVE SETS OF SIMPLE FUNCTIONALIZED COMPOUNDS - APPLICATION TO ACIDS AND ESTERS

被引：0

作者：

BARONE, R ^{[1
]}

ARBELOT, M ^{[1
]}

BALDY, A ^{[1
]}

CHANON, M ^{[1
]}

GALLO, R ^{[1
]}

机构：

[1] ENSSPICAM,CNRS,URA 1410,F-13397 MARSEILLE 13,FRANCE

来源：

REVUE ROUMAINE DE CHIMIE | 1991年 / 36卷 / 4-7期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We describe the program RENE (REaction geNErator). Its aim is to propose new challenges to invent reactions. The proposition of new reactions is made by the construction of the set of homotopomers and related reactive sets of a given substructure. The reactions are then written as transforms of one homotopomer into another one. The homotopomers are constructed by considering the array of bonds as a number written in base 4 and then limiting the number of possibilities by automatically discarding the generated propositions in disagreement with the basic rules of valency. RENE is written with QuickBasic and runs on IBM/PC microcomputer.

引用

页码：581 / 598

页数：18

共 50 条

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