期刊
CHEMCATCHEM
卷 10, 期 2, 页码 338-360出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cctc.201701119
关键词
annulation; cycloaddition; DFT; reaction mechanism; stereoselectivity
资金
- National Natural Science Foundation of China [21303167, 21773214, 21503191]
- China Postdoctoral Science Foundation [2013M530340, 2015M572115, 2015T80776]
- Outstanding Young Talent Research Fund of Zhengzhou University [1521316001]
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.
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