A Theoretical Study on the Borane-Catalyzed Reductive Amination of Aniline and Benzaldehyde with Dihydrogen: The Origins of Chemoselectivity

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DOI:10.1021/acs.joc.1c02491
作者：Jiyang Zhao*,&nbsp;Shaoxian Liu,&nbsp;Shanshan Liu,&nbsp;Wenwen Ding,&nbsp;Sijia Liu,&nbsp;Yao Chen,&nbsp;Pan Du*
文献类型：期刊论文
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American Chemical Society (ACS)

Abstract：Density functional theory calculations are used in this study to investigate the product selectivity and mechanism of borane-catalyzed reductive aldehyde amination by a H2 reducing agent. Kn

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