机译:A DFT Study on Mechanisms and Origin of Selectivity of Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates
Zhengzhou Univ, Ctr Computat Chem, Coll Chem & Mol Engn, Zhengzhou 450001, Henan, Peoples R China;
Zhengzhou Univ, Sch Basic Med Sci, Dept Pathophysiol, Zhengzhou 450001, Henan, Peoples R China;
Acylcyanation; DFT; Non-covalent interaction; Phosphine; Stereoselectivity; N-HETEROCYCLIC CARBENE; FUNDAMENTAL REACTION PATHWAY; FREE-ENERGY PROFILE; 4+2 ANNULATION REACTION; DIELS-ALDER REACTIONS; INTRAMOLECULAR ACYLCYANATION; INSIGHTS; STEREOSELECTIVITY; ENALS; CYCLOADDITION;