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The origin of the ligand-controlled regioselectivity in Rh-catalyzed [(2 + 2) + 2] carbocyclizations: steric vs. stereoelectronic effects

Density functional theory calculations demonstrate that the reversal of regiochemical outcome of the addition for substituted methyl propiolates in the rhodium-catalyzed [(2 + 2) + 2] carbocyclization with PPh(3) and (S)-xyl-binap as ligands is both electronically and sterically controlled. For exam...

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Publicado no:Chem Sci
Main Authors: Crandell, Douglas W., Mazumder, Shivnath, Evans, P. Andrew, Baik, Mu-Hyun
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5510011/
https://ncbi.nlm.nih.gov/pubmed/28757978
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c5sc02307f
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