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

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 rat...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2019-09, Vol.55 (76), p.1133-11341
Main Authors: Wang, Hongliang, Zhang, Shuo-Qing, Hong, Xin
Format: Article
Language:English
Subjects:
Activation
Amides
Chemical bonds
Chemical reactions
Chemists
Coupling (molecular)
Cross coupling
Organic chemistry
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Summary: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. This review summarizes the mechanistic models of Ni-catalyzed amide C-N bond cleavage and discusses their applications in related transformations.
ISSN:1359-7345
1364-548X
DOI:10.1039/c9cc05763c