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. 2022 Jun 6;144(24):10921–10928. doi: 10.1021/jacs.2c03726

Figure 5.

Figure 5

Electrocyclization step of the addition/N2 elimination/cyclization pathway between 1 and 4a. Lowest energy pathway and 3D geometries of key structures are shown. Energies are in kcal/mol relative to starting materials. *Barrier height was corrected to account for tunneling.