Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions |
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| Authors: | Allemann Christophe Gordillo Ruth Clemente Fernando R Cheong Paul Ha-Yeon Houk K N |
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| Affiliation: | Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA. |
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| Abstract: | 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. |
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