Collect. Czech. Chem. Commun. 1982, 47, 1621-1631

A CNDO/2 study of reactivity of methylene group in 1-methyl-1,4-dihydronicotinamide

Jiří Krechl and Josef Kuthan

Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6


An attempt has been made to use the CNDO/2 method for prediction of the reaction profile and electronic mechanism of elimination of 4-hydrogen atom of 1-methyl-1,4-dihydronicotinamide (I).