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- W2333980377 abstract "The mechanism of the copper-catalyzed regioselective ortho C–H cyanation of vinylarenes has been investigated using density functional theory calculations. This C–H cyanation is composed of two discrete catalytic cycles (the copper-catalyzed electrophilic cyanative dearomatization and the subsequent base-catalyzed hydrogen transposition) that furnish the ortho C–H cyanated arenes. The electrophilic cyanation step features a unique six-membered transition state, leading to the formation of the dearomatized intermediate with a high level of site selectivity. Such dearomatization significantly increases the reactivity of the C–H bond, thereby enabling the base-assisted C–H activation in the following steps." @default.
- W2333980377 created "2016-06-24" @default.
- W2333980377 creator A5021833788 @default.
- W2333980377 creator A5052355014 @default.
- W2333980377 date "2015-04-13" @default.
- W2333980377 modified "2023-10-03" @default.
- W2333980377 title "Mechanism and Origins of Selectivities in the Copper-Catalyzed Dearomatization-Induced <i>ortho</i> C–H Cyanation of Vinylarenes" @default.
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- W2333980377 doi "https://doi.org/10.1021/acscatal.5b00443" @default.
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