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. Author manuscript; available in PMC: 2025 Jan 10.
Published in final edited form as: J Am Chem Soc. 2023 Jul 31;145(31):17367–17376. doi: 10.1021/jacs.3c04986

Figure 2.

Figure 2.

(A) Experimental training set of arenes that undergo borylation at two positions augments a literature-based dataset. Product distributions are normalized to 100, and the major site of borylation is highlighted. (B) Intermolecular competition experiment mirrors the selectivity of the borylation of two arenes in the same molecule, demonstrating the feasibility of training a model on isolated arenes to predict the reactivity of a substrate containing multiple arenes.