吞吐量
计算机科学
过程(计算)
生化工程
纳米技术
组合化学
计算机体系结构
化学
工程类
材料科学
电信
操作系统
无线
作者
Jason M. Stevens,Eric M. Simmons,Yee Sun Tan,Alina Borovika,Junying Fan,Robert V. Forest,Peng Geng,C. Guerrero,Sha Lou,Dimitri Skliar,Sarah E. Steinhardt,Neil A. Strotman
标识
DOI:10.1021/acs.oprd.1c00443
摘要
The invention of a commercial route to the Bruton's tyrosine kinase inhibitor branebrutinib (BMS-986195) in four total chemical steps is described. The execution of high-throughput experimentation (HTE) coupled with a first-principles approach across the proposed synthetic route enabled the identification of a novel indolization reaction that rapidly generated high synthetic complexity, as the centerpiece of the synthesis. A parallel HTE strategy during route design enabled the efficient and rapid evaluation of multiple options within a short timeframe to complete rigorous process development while mitigating the risks associated with implementing new chemistry featuring an aggressive disconnection strategy.
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