Carbocation versus Carbene Controlled Chemoselectivity: DFT Study on Gold- and Silver-Catalyzed Alkylation/Cyclopropanation of Indoles with Vinyl Diazoesters.
ORGANIC LETTERS(2020)
摘要
Density functional theory calculations were performed to investigate the catalyst-controlled selective functionalization of indoles with vinyl diazoacetates. The detailed reaction mechanism was established, and different roles of carboncation or carbene intermediates in defining an experimentally observed chemo- and regioselectivity were fully rationalized.
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