Article ID Journal Published Year Pages File Type
5394948 Computational and Theoretical Chemistry 2012 5 Pages PDF
Abstract
► We model by means of DFT the addition of carbon centered radicals to enamino esters. ► Performance of different DFT functionals (hybrid-GGA vs metahybrid-GGAs) was validated against coupled-cluster methodologies. ► According to the computations, enamino esters present a strong ambiphilic character towards radical addition.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Addition of carbon centered radicals to methyl 3-(methylamino)acrylate: The regioselectivity of radical addition to enamino esters
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