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Salomé Llabrés, Dr. Esther Vicente-García, Dr. Sara Preciado, Cristina Guiu, Prof. Ramon Pouplana, Prof. Rodolfo Lavilla and Prof. F. Javier Luque Evolution of a Multicomponent System: Computational and Mechanistic Studies on the Chemo- and Stereoselectivity of a Divergent Process Chemistry - A European Journal 19

Article first published online: 14 AUG 2013 | DOI: 10.1002/chem.201302072

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Bifurcating pathways: Mechanistic and computational analyses of a multicomponent system formed by an imine, a diene and a nitrile reveals a divergent reaction mechanism. The exo approach leads to the imino-Diels–Alder product in a concerted manner, whereas the alternative endo pathway follows a different course, affording the Mannich–Ritter-amidine adduct through a stepwise process (see scheme).

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