Regioselective alkylation of a versatile indazole: Electrophile scope and mechanistic insights from density functional theory calculations

Pengcheng Lu, Luis Juarez, Paul A. Wiget, Weihe Zhang, Krishnan Raman and Pravin L. Kotian
Beilstein J. Org. Chem. 2024, 20, 1940–1954. https://doi.org/10.3762/bjoc.20.170

Supporting Information

Supporting Information File 1: Characterization of all compounds (1H NMR, 13C NMR, LC–MS, IR), and crystallographic methods and data for products P1 and P2.
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Supporting Information File 2: DFT methods, relative energy comparisons, TS imaginary frequencies, and XYZ coordinates.
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Supporting Information File 3: GoodVibes outputs.
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Cite the Following Article

Regioselective alkylation of a versatile indazole: Electrophile scope and mechanistic insights from density functional theory calculations
Pengcheng Lu, Luis Juarez, Paul A. Wiget, Weihe Zhang, Krishnan Raman and Pravin L. Kotian
Beilstein J. Org. Chem. 2024, 20, 1940–1954. https://doi.org/10.3762/bjoc.20.170

How to Cite

Lu, P.; Juarez, L.; Wiget, P. A.; Zhang, W.; Raman, K.; Kotian, P. L. Beilstein J. Org. Chem. 2024, 20, 1940–1954. doi:10.3762/bjoc.20.170

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