Theoretical study on the hydrolysis mech
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Yong Wu; Lu Jin; Ying Xue; Dai Qian Xie; Chan Kyung Kim; Yong Guo; Guo Sen Yan
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Article
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2008
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John Wiley and Sons
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English
⚖ 532 KB
## 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