Unraveling the sequence of electron flows along the reaction mechanism by quantum topological tools: The 32CA reaction of acetonitrile oxide with 7-bromo-oxanorborn-5-en-2-one.

This work lays out the flow of electron density taking place along four reaction pathways of 32CA reaction of acetonitrile oxide between 7-bromo-oxanorborn-5-en-2-one which has been examined in detail and in accordance with the bonding evolution theory (BET). The BET study makes apparent the non-concerted bond breaking/forming processes along each reaction pathway. The number (seven) of stability structural domains (SSD) found along the different reaction pathway through the syn and anti-approach is identical. For the both reaction pathway, the N-C triple and C-C double bonds are the main electron flux and responsible for the appearance of the fold-type catastrophe on N and C atoms. Finally, the C-C sigma bond formation corresponding to cusp catastrophe starts first and follows by the O-C one along the four different reaction pathways.