Collect. Czech. Chem. Commun.
1982, 47, 1621-1631
https://doi.org/10.1135/cccc19821621
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
Abstract
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).
