Computational Study on the Mechanism and Origin of the Regioselectivity and Stereospecificity in Pd/SIPr-Catalyzed Ring-Opening Cross-Coupling of 2-Arylaziridines with Arylboronic Acids
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DOI: 10.1021/acscatal.9b01191
Abstract: The mechanism, regioselectivity, and stereospecificity of Pd/NHC-catalyzed ring-opening cross-coupling of 2-arylaziridines with arylboronic acids (Takeda et al. J. Am. Chem. Soc. 2014, 136, 8544−8547) is rationalized from density functional theory calculations. Pd(0)SIPr complex, the active… read more here.
Keywords: regioselectivity stereospecificity; opening cross; catalyzed ring; ring opening ... See more keywords