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- W2897571102 abstract "Density functional theory calculations were performed to study the detailed reaction mechanisms of rhodium-catalyzed oxyaminofluorination and oxyaminotrifluoromethylthiolation of diazocarbonyl compounds with electrophilic N-F and N-SCF3-based reagents. The calculations show that the operating mechanisms for the two reactions are identical. The catalytic cycle starts with N2 dissociation to provide a rhodium-carbene intermediate, followed by nucleophilic attack of tetrahydrofuran on the carbene and a rhodium coordination change generating a rhodium-enolate intermediate. Subsequent electrophilic attack introduces the fluorine or the SCF3 moiety, and it is followed by nucleophilic attack of the remaining amino group to yield the final product." @default.
- W2897571102 created "2018-10-26" @default.
- W2897571102 creator A5030863006 @default.
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- W2897571102 date "2018-10-12" @default.
- W2897571102 modified "2023-10-13" @default.
- W2897571102 title "Mechanisms of Rh-Catalyzed Oxyaminofluorination and Oxyaminotrifluoromethylthiolation of Diazocarbonyl Compounds with Electrophilic Reagents" @default.
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- W2897571102 doi "https://doi.org/10.1021/acs.orglett.8b02628" @default.
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