期刊
CHEMICAL COMMUNICATIONS
卷 47, 期 20, 页码 5759-5761出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cc11063b
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资金
- CSIR (New Delhi)
The transition state models in two mechanistically distinct pathways, involving (i) an enamine carboxylic acid (path-A, 4) and (ii) an enamine carboxylate (path-B, 8), in the proline-catalyzed asymmetric alpha-amination have been examined using DFT methods. The path-A predicts the correct product stereochemistry under base-free conditions while path-B accounts for reversal of configuration in the presence of a base.
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