Computational study of Ru-catalyzed cycloisomerization of 2-alkynylanilides
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DOI: 10.1007/s00894-018-3707-7
Abstract: The reaction mechanism of Ru-catalyzed cycloisomerization of 2-alkynylanilides to 3-substituted indole or 2-substituted indole was analyzed at the B3LYP level of density functional theory. The solvation effect of the system was also considered by SMD… read more here.
Keywords: computational study; reaction; substituted indole; catalyzed cycloisomerization ... See more keywords