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Herein, we report a DFT study of a 4+3 cycloaddition reaction involving a theoretically proposed oxyallylic cation stabilized by a chiral sulfoximine group. The growing importance of the sulfoximine functional group in chemistry cannot be overstated. Computed energy profiles indicate that the reaction is feasible, and geometric and topological analyses (QTAIM, ESP, and NCI) of all transition-states elucidate bonding and the non-covalent interactions stabilizing the favored pathway. The results reveal a strong preference for the endo pathway with modest diastereoselectivity.
Richardson et al. (Mon,) studied this question.