醛醇缩合及相关反应的不对称有机催化理论：合理化与预测
Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions.
作者信息
Allemann Christophe, Gordillo Ruth, Clemente Fernando R, Cheong Paul Ha-Yeon, Houk K N
机构信息
Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA.
出版信息
Acc Chem Res. 2004 Aug;37(8):558-69. doi: 10.1021/ar0300524.
Computational studies have led to models to understand some classic and contemporary asymmetric reactions involving organocatalysts. The Hajos-Parrish-Eder-Sauer-Wiechert reaction and intermolecular aldol reactions as well as Mannich reactions and oxyaminations catalyzed by proline and other amino acids, and Diels-Alder reactions catalyzed by MacMillan's chiral amine organocatalysts have been studied with density functional theory. Quantitative predictions for several new catalysts and reactions are provided.
计算研究已得出一些模型，用于理解涉及有机催化剂的一些经典和当代不对称反应。已用密度泛函理论研究了哈约什-帕里什-埃德尔-绍尔-维歇特反应、分子间羟醛反应以及由脯氨酸和其他氨基酸催化的曼尼希反应和氧胺化反应，还有由麦克米伦手性胺有机催化剂催化的狄尔斯-阿尔德反应。并对几种新型催化剂和反应给出了定量预测。
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