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. 2021 Jul 21;143(30):11337–11344. doi: 10.1021/jacs.1c06287

Figure 4.

Figure 4

Unusual ortho and para isomers and computational investigation of their mechanism of formation. Conditions: 4 (1 equiv), 1 (3 equiv), Na2CO3 (3 equiv), CH3CN (0.1 M), 50 °C, 12 h. Isolated yields, 0.1–0.3 mmol scale. aUnassigned minor isomer detected. bCarbene-C2 bond was frozen at length from B3LYP-D3/6-31g(d) optimization.