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Updated: Apr 15, 2026

A Protocol for Safe Lithiation Reactions Using Organolithium Reagents
Published on: November 12, 2016
Development of a web-based platform for studying lithiation reactions in silico
Mikhail A Kabeshov1, Éric Sliwiński, Daniel E Fitzpatrick
1Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. mk787@cam.ac.uk.
Abstract:
A novel integrated web-based system which can compute, visualise and store systematised key parameters of a reaction has been developed from open-source components. As a proof of concept, it has been used to rationalise and predict the regioselectivity of lithiation reactions as well as relative reactivity of substrates. Excellent agreement between the in silico analysis and experimental data was obtained.
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