Fig. 2. (a) Trapping of the benzyne VI (from 1a, Chart 1) with N-hetaryls of the pyridine family (i.e., pyridine, quinoline, isoquinoline, phenanthridine, pyrimidine, 1,3,5-triazine, and quinazoline) follow different reaction pathways. (b) DFTi for VII + 2a showing competitive formation of IX and VIII and a high barrier for ring opening of IX to the azocine X. i[SMD(benzene)//M06-2X/6-311+G(d,p)].
