DFT Studies on the Mechanism of the Rhodium(III)-Catalyzed C-H Activation of N-Phenoxyacetamide.

Abstract

A density functional theory (DFT) study has been conducted to elucidate the mechanism of the rhodium(III)-catalyzed C-H activation of N-phenoxyacetamide, where the amido component of an internal oxidant serves as a leaving group. The impact of different substrates (alkynes versus cyclopropenes) on the reaction mechanism has been discussed in detail. The… (More)
DOI: 10.1021/acs.joc.5b01895

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@article{Li2015DFTSO, title={DFT Studies on the Mechanism of the Rhodium(III)-Catalyzed C-H Activation of N-Phenoxyacetamide.}, author={Juan Jenny Li and Zhiping Qiu}, journal={The Journal of organic chemistry}, year={2015}, volume={80 21}, pages={10686-93} }