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• W3126348519 endingPage "1494" @default.
• W3126348519 startingPage "1489" @default.
• W3126348519 abstract "Density functional theory calculations have been performed to reveal the chemoselectivity of Rh-catalyzed chiral C–F cleavage and γ-site functionalization. We found that the chemoselectivity is controlled by β-F elimination in methanol solvent, leading to formation of the alkynylic product. In isobutyronitrile solvent, the chemoselectivity is controlled by the allene insertion step, where the fluoroalkenylic product can be observed. The difference can be explained by analysis of the explicit solvent models." @default.
• W3126348519 created "2021-02-15" @default.
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• W3126348519 date "2021-02-10" @default.
• W3126348519 modified "2023-10-16" @default.
• W3126348519 title "How Solvents Control the Chemoselectivity in Rh-Catalyzed Defluorinated [4 + 1] Annulation" @default.
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• W3126348519 doi "https://doi.org/10.1021/acs.orglett.1c00223" @default.
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• W3126348519 hasPublicationYear "2021" @default.
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