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. 2019 Mar 29;25(23):5987–5993. doi: 10.1002/chem.201900377

Scheme 5.

Scheme 5

Proposed mechanism for the C−H amination of xanthene with PhINTs. Energies in ΔG o at 298 K calculated with DFT at the B3LYP/def2TZVP/disp3 m4grid/COSMO(benzene) level of theory. Graphical representation of TS generated with IboView. Grey=C, white=H, purple=I, yellow=S, red=O, blue=N.