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. 2020 Jan 30;26(15):3222–3225. doi: 10.1002/chem.201905570

Scheme 4.

Scheme 4

Mechanistic proposal for the transformation of compound 5 a′ by two‐electron reduction in the presence of TMSCl to product 2 a′. DFT calculations were performed at M06‐2X/Def2‐TZVP with the methyl instead of the ethyl esters; species 14, 15, and 2 a′ were calculated as hydrogen‐bonded monohydrates.