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Computational modelling of the enantioselectivity in the asymmetric 1,4-addition of phenylboronic acid to a bulky, doubly pro-chiral maleimide catalyzed by a Rh/chiral diene complex

Qin Hua Li*; Shang Zhen Peng; Zhu Kaicheng; Li You Gui; Kantchev Eric Assen B
Engineering Village
合肥工业大学; Nanyang technological university

摘要

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关键词

Absolute configuration Boltzmann distribution Computational modelling Ligand conformations Phenylboronic acids Quantitative prediction Reaction pathways Transition state