Beilstein J. Org. Chem.2024,20, 1940–1954, doi:10.3762/bjoc.20.170
compounds 6, 18, and 21 via natural bond orbital (NBO) analyses which further support the suggested reaction pathways.
Keywords: DFT; indazole; indazolesubstitution; mechanism; N1-substituted indazole; N2-substituted indazole; regioselectivity; Introduction
Indazoles constitute an important class of