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Theoretical Study of the Catalysis of Cyanohydrin Formation by the Cyclic Dipeptide Catalyst cyclo[(S)-His-(S)-Phe]

Dipeptide cyclo[(S)-His-(S)-Phe] 1, first applied by Inoue et al. in 1981, catalyzes the hydrocyanation of aromatic aldehydes very efficiently. Enantioselective autoinduction has also been reported for the process. We have employed QM (Density Functional Theory and MP2), Molecular Mechanics (MM) and...

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Autori principali: Schoenebeck, Franziska, Houk, K. N.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2009
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2662997/
https://ncbi.nlm.nih.gov/pubmed/19161315
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo801958r
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