Investigation of solvent effects on the rate and stereoselectivity of the Henry reaction.

Investigation of solvent effects on the rate and stereoselectivity of the Henry reaction.
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DOI:
10.1021/ol2030394
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发表时间:
2012-01-06
期刊:
影响因子:
5.2
通讯作者:
Jorgensen WL
Jorgensen WL
中科院分区:
化学1区
文献类型:
--
作者:
Kostal J;Voutchkova AM;Jorgensen WL

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A combined computational and experimental kinetic study on the Henry reaction is reported. The effects of salvation on the transition structures and the rates of reaction between nitromethane and formaldehyde, and between nitropropane and benzaldehyde are elucidated with QM/MM calculations.
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