期刊
TETRAHEDRON LETTERS
卷 50, 期 7, 页码 814-817出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.tetlet.2008.12.007
关键词
DFT calculations; Isatin; Organocatalysis; Proline; Water
资金
- UniversitA e della Ricerca Scientifica [PRIN 2006]
- UniversitA di Bologna
- CNPq
The addition of small quantities of water to the proline or prolinamide-catalyzed aldol addition of acetone to isatin can result in increased enantioselectivity. DFT B3LYP calculations with a water molecule explicitly incorporated in the aldol transition states reproduce the observed enantioselectivity. (C) 2008 Elsevier Ltd. All rights reserved.
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