Workflow of reaction discovery via in silico screening (IMAGE)

Hokkaido University

Workflow of reaction discovery via in silico screening

Caption

Workflow of reaction discovery via in silico screening. (Left) Reactions between difluorocarbene and numerous pairs of small molecules were simulated, predicting a N-heterocycle product fluorinated twice at the alpha carbon. (Right) The successful reaction framework using pyridine and examples of the types of product compounds obtained. (Hiroki Hayashi, Hitomi Katsuyama, Hideaki Takano, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita. Nature Synthesis. August 08, 2022)

Credit

Hiroki Hayashi, Hitomi Katsuyama, Hideaki Takano, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita. Nature Synthesis. August 08, 2022

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