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. Author manuscript; available in PMC: 2020 Apr 30.
Published in final edited form as: J Am Chem Soc. 2019 Jun 3;141(23):9191–9196. doi: 10.1021/jacs.9b04508

Figure 2.

Figure 2.

(A) Computational investigations toward the regioselective pyran formation. Free energies (in kcal/mol) and structures were determined using ωB97x-D/6–311+G(2d,p)//ωB97x-D/6–31+G(d,p). (B) Interconversion investigations between pyran regioisomers.