Department of Chemistry , Princeton University , Princeton , New Jersey 08544 , United States.
J Am Chem Soc. 2018 Apr 18;140(15):5004-5008. doi: 10.1021/jacs.8b01523. Epub 2018 Apr 3.
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.
通过对试剂和碱基结构的精细调整，磺酰氟可以有效地氟化各种醇类。我们表明，机器学习可以绘制复杂的反应景观，并能够准确预测未经测试的底物的高产条件。
