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Theoretical study of the mechanism of formation of 4-aminoisoxazoles. 1. Structure of 2-cyano-2-[(2-oxo-2-phenylethoxy)imino]-N-phenylacetamide in the crystal and solution

✍ Scribed by Kislyi, V. P.; Danilova, E. B.

Book ID
125357999
Publisher
Springer US
Year
2013
Tongue
English
Weight
621 KB
Volume
49
Category
Article
ISSN
0009-3122

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## Abstract The hydrolysis reaction of __N__,__N__‐dimethyl‐N′‐(2‐oxo‐1, 2‐dihydro‐pyrimidinyl)formamidine (DMPFA), a model compound of the antivirus drug amidine‐3TC (3TC = 2′, 3′‐dideoxy‐3′‐thiacytidine), is investigated by the hybrid density functional theory B3LYP/6‐31+G (d,p) method. The hydro