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Mechanism of the Aminolysis of Methyl Benzoate: A Computational Study †

✍ Scribed by Galabov, Boris; Atanasov, Yasen; Ilieva, Sonia; Schaefer, Henry F.

Book ID
126167302
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
128 KB
Volume
109
Category
Article
ISSN
1089-5639

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