Theoretical Analysis of the Mechanism of the 1,3-Dipolar Cycloaddition of Benzodiazepine with N-Aryl-C-ethoxycarbonylnitrilimine

Figure 2

Energetic profile of both approaches at B3LYP/6-31G(d) level (a) and the lowest lying isomers of P1 and P2 products (b).

(a)

(b)