Stereoselectivity of the aza-Diels-Alder reaction between cyclopentadiene and protonated phenylethylimine derived from glyoxylates. A density functional theory study

A theoretical study was carried out at the B3LYP/6-31G(d) level of calculation in order to predict and interpret the exo/endo ratio of adducts obtained by Diels-Alder cycloaddition of S-phenylethylimine of methyl carboxylate to cyclopentadiene.