Computationally guided design of a diazotransfer reagent with high reactivity

N/A CHEMISTRY, MULTIDISCIPLINARY Nature synthesis Pub Date : 2024-09-10 DOI:10.1038/s44160-024-00634-1
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Abstract

Sulfur(vi) fluoride exchange and modular diazotransfer reactions have advanced click chemistry, but their mechanisms and reactivity profiles are not well understood. Now, a computational study of these reactions provides mechanistic insights and predictive reactivity models for modular diazotransfer, facilitating the development of an easy-to-prepare and -handle diazotransfer reagent with excellent reactivity.

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高反应性重氮转移试剂的计算引导设计
氟化硫(vi)交换和模块化重氮转移反应推动了点击化学的发展,但人们对它们的机理和反应性还不甚了解。现在,对这些反应的计算研究为模块化重氮转移提供了机理见解和预测反应模型,促进了一种易于制备和处理且反应性极佳的重氮转移试剂的开发。
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