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

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journal contribution
posted on 12.03.2021, 21:44 by Samantha L. Kraus, Sean P. Ross, Matthew S. Sigman
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.