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Rh-Catalyzed (5+2) Cycloadditions of 3-Acyloxy-1,4-enynes and Alkynes: Computational Study of Mechanism, Reactivity, and Regioselectivity

The mechanism of Rh-catalyzed (5+2) cycloadditions of 3-acyloxy-1,4-enyne (ACE) and alkynes is investigated using density functional theory calculations. The catalytic cycle involves 1,2-acyloxy migration, alkyne insertion, and reductive elimination to form the cycloheptatriene product. In contrast...

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Detalhes bibliográficos
Main Authors: Xu, Xiufang, Liu, Peng, Shu, Xing-zhong, Tang, Weiping, Houk, K. N.
Formato: Artigo
Idioma:Inglês
Publicado em: 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3725470/
https://ncbi.nlm.nih.gov/pubmed/23725341
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja4036785
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