期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 139, 期 45, 页码 16126-16133出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.7b06377
关键词
-
资金
- University of Maryland College Park
- NSF [CHE160082, CHE160053]
Quantum mechanical calculations are employed to investigate the mechanism and origin of stereoinduction in asymmetric iron-catalyzed C(sp(2))-C(sp(3)) cross-coupling reaction between Grignard reagents and alpha-chloroesters. A coherent mechanistic picture of this transformation is revealed. These results have broad implications for understanding the mechanisms of iron-catalyzed cross-coupling reactions and rational design of novel iron-based catalysts for asymmetric transformations.
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