Experimental and computational studies in the synthesis of 2-amino-4,6-diphenylnicotinonitrile using HBF4 as an oxidizing promoter catalyst under mild and solvent free conditions were carried out. The suggested anomeric based oxidation (ABO) mechanism is supported by experimental and theoretical evidence. The theoretical study shows that the intermediate isomers with 5R- and 5S- chiral positions have suitable structures for the aromatization through an anomeric based oxidation in the final step of the mechanistic pathway.
