Artigo Revisado por pares

Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning

2018; American Chemical Society; Volume: 140; Issue: 15 Linguagem: Inglês

10.1021/jacs.8b01523

ISSN

1943-2984

Autores

Matthew K. Nielsen, Derek T. Ahneman, Orestes Riera, Abigail G. Doyle,

Tópico(s)

Synthetic Organic Chemistry Methods

Resumo

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.

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