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Computational Study of the Aminolysis of 2-Benzoxazolinone

โœ Scribed by Ilieva, Sonia; Galabov, Boris; Musaev, Djamaladdin G.; Morokuma, Keiji

Book ID
127270953
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
266 KB
Volume
68
Category
Article
ISSN
0022-3263

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## Abstract Various pathways for the reaction of methylamine with methyl acetate catalyzed by 2(1__H__)โ€pyridone have been investigated at the Becke3LYP/6โ€“31G^\*\*^/HF/6โ€“31G^\*\*^ level of theory. The most favorable pathway consists of a oneโ€step reaction, in which all bondโ€forming and โ€breaking pr