Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening

Abstract Enhancing the properties of advanced drug candidates is aided by the direct incorporation of specific chemical groups, avoiding the need to construct the entire compound from the ground up. Nevertheless, their chemical intricacy often poses challenges in predicting reactivity for C-H activa...

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Bibliographic Details
Main Authors: David F. Nippa, Kenneth Atz, Alex T. Müller, Jens Wolfard, Clemens Isert, Martin Binder, Oliver Scheidegger, David B. Konrad, Uwe Grether, Rainer E. Martin, Gisbert Schneider
Format: Article
Language:English
Published: Nature Portfolio 2023-11-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-023-01047-5

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