The developments of theoretical studies on NHC-catalyzed [n+2] (n=2, 3, 4) and other cycloaddition/annulation reactions have been summarized in this review. The detailed mechanisms, role of NHC, and origin of chemo- and stereoselectivity of these kinds of reactions were illustrated to provide valuable insights for rational design of new NHC-catalyzed cycloaddition/annulation reactions with high selectivities. Moreover, computational and theoretical methods commonly used were also mentioned to open the door for deep exploration of the general principle for NHC-catalyzed reactions within theoretical chemistry.
CITATION STYLE
Wang, Y., Wei, D., & Zhang, W. (2018, January 23). Recent Advances on Computational Investigations of N-Heterocyclic Carbene Catalyzed Cycloaddition/Annulation Reactions: Mechanism and Origin of Selectivities. ChemCatChem. Wiley Blackwell. https://doi.org/10.1002/cctc.201701119
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