Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning
| Autor: | Orestes Riera, Abigail G. Doyle, Matthew K. Nielsen, Derek T. Ahneman |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Sulfonyl
chemistry.chemical_classification 010405 organic chemistry business.industry fungi food and beverages General Chemistry 010402 general chemistry Machine learning computer.software_genre 01 natural sciences Biochemistry Catalysis 0104 chemical sciences Colloid and Surface Chemistry chemistry Reagent Artificial intelligence business computer |
| Zdroj: | Journal of the American Chemical Society. 140(15) |
| ISSN: | 1520-5126 |
| Popis: | Through fine-tuning of reagent and base structure, sulfonyl fluorides can efficiently fluorinate diverse classes of alcohols. We show that machine learning can map the intricate reaction landscape and enable accurate prediction of high-yielding conditions for untested substrates. |
| Databáze: | OpenAIRE |
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