Extended Data Fig. 9: The new ligands designed by Chemma for the Pd-catalysed Buchwald-Hartwig reaction.
From: Large language models to accelerate organic chemistry synthesis
For a reported HTE reaction, we ask Chemma to design new ligands (L1 to L7) that have not been explored. It is worth noting that we synthesize L1, L3, and L6, and conduct wet experiments to evaluate the effectiveness of the generated ligands. The yield of L1 and L3 is 6% and 16%, respectively. L6 exhibits no reactivity.
