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. Author manuscript; available in PMC: 2020 Jul 30.
Published in final edited form as: J Am Chem Soc. 2020 Mar 10;142(12):5568–5573. doi: 10.1021/jacs.0c02441

Figure 1.

Figure 1.

Computed reaction profile for the 2-imino-Nazarov reaction of aziridine 16. Relative energies and bond distances are given in kcal/mol and angstroms, respectively. All of the data were computed at the SMD(CH2Cl2)-B3LYP-D3/def2-TZVPP//SMD(CH2Cl2)-B3LYP-D3/def2-SVP level.