Theory of Asymmetric Organocatalysis of Aldol and Related Reactions: Rationalizations and Predictions

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Theory of Asymmetric Organocatalysis of Aldol and Related Reactions: Rationalizations and Predictions

Allemann, Christophe; Gordillo, Ruth; Clemente, Fernando R; Cheong, Paul Ha-Yeon; Houk, K. N

Accounts of chemical research, 08/2004, Volume: 37, Issue: 8

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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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Allemann, Christophe | Gordillo, Ruth | Clemente, Fernando R | Cheong, Paul Ha-Yeon | Houk, K. N

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