Concerted proton-coupled electron transfer (PCET) reaction between favipiravir (T-705) and hydroperoxyl radical
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https://data.mendeley.com/datasets/p8f2p9y2ft
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资源简介：
PCET mechanisms between pyrazine antiviral drugs, 6-fluoro-3-hydroxypyrazine-2-carboxamide (favipiravir, T-705) and hydroperoxyl radical (HO2•) in N,N-dimethylformamide. The PCET occurs as an intra-complex reaction after the formation of prereactive complex. This reaction was theoretically obtained using the density functional theory (DFT) level with the Becke three-parameter Lee–Yang–Parr functional.
创建时间：
2022-11-22
