Fig. 3. Comparisons of Ti- and Pd-eliminations. (A) Pathway for the C–N bond formation state omitted in Fig. 1(B) Pd-catalyzed C–C bond formation via reductive elimination. (C) Pd-catalyzed C–N bond formation via reductive elimination when replacing TiCl2Py in IM3 with Pd(CN t Bu)2. Key bond lengths are given in angstroms. The optimized structures of all the stationary points are displayed in Fig. S7.† .
