Rate Profiling the Impact of Remote Functional Groups on the Redox-Relay Heck Reaction

The redox-relay Heck reaction is a powerful method for the construction of enantioenriched quaternary stereocenters remote from existing functional groups. However, there has been little success in the design of site-selective alkene functionalization based on these methods. Herein, we show that experimentally determined rates can be used to train a multivariate linear regression model capable of predicting the rate of a specific relay Heck reaction, allowing for the site-selective functionalization of diene substrates.氧化还原接力Heck反应（redox-relay Heck reaction）是构建远离现有官能团的对映富集季碳立体中心的高效手段。然而，基于此类方法设计位点选择性烯烃官能化策略的研究鲜有成功。本文中，我们证实通过实验测定的反应速率可用于训练多元线性回归模型，该模型能够预测特定接力Heck反应的反应速率，从而实现二烯底物的位点选择性官能化。