Computational studies on Ni-catalyzed amide C–N bond activation

Chemical Communications Pub Date: 2019-08-19 DOI: 10.1039/C9CC05763C

Abstract

Recently, remarkable advances in the mechanistic understanding of Ni-catalyzed amide C–N bond activation have been achieved by computational chemists. These computational studies revealed the key mechanistic processes of Ni-catalyzed amide C–N bond cleavage, providing the molecular basis for the rationalization of reactivities and selectivities. This review summarizes the general mechanistic models of Ni-catalyzed amide C–N bond activation, and discusses their applications in the understanding and design of Ni-catalyzed cross coupling reactions involving amides.

Graphical abstract: Computational studies on Ni-catalyzed amide C–N bond activation
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