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The roles of counterion and water in a stereoselective cysteine-catalyzed Rauhut-Currier reaction: A challenge for computational chemistry
The stereoselective Rauhut-Currier (RC) reaction catalyzed by a cysteine derivative has been explored computationally with DFT (M06-2X) theory. Both methanethiol and a chiral cysteine derivative were studied as nucleophiles. The complete reaction pathway involves rate-determining elimination of the...
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| 主要な著者: | , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2013
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3918516/ https://ncbi.nlm.nih.gov/pubmed/24038400 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.201300745 |
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