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Computational Study of Rh-Catalyzed Carboacylation of Olefins: Ligand-Promoted Rhodacycle Isomerization Enables Regioselective C–C Bond Functionalization of Benzocyclobutenones
The mechanism, reactivity, regio- and enantioselectivity of the Rh-catalyzed carboacylation of benzocyclobutenones are investigated using density functional theory (DFT) calculations. The calculations indicate that the selective activation of the relatively unreactive C1–C2 bond in benzocyclobutenon...
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| Udgivet i: | J Am Chem Soc |
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| Main Authors: | , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2015
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4878673/ https://ncbi.nlm.nih.gov/pubmed/26051406 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.5b04691 |
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