The article from Gajewska et al. explores the use of computational methods to identify tactical combinations (TCs) in organic synthesis. TCs are two-step reaction sequences that initially complexify a target structure, enabling significant structural simplification in subsequent steps. Traditionally, these combinations have been difficult to identify, with only about 500 cataloged to date. This study demonstrates that computers can systematically discover millions of viable TCs, many of which have no prior literature precedent, thereby unlocking new and elegant synthetic approaches.

Synthia^® plays a crucial role in this domain by leveraging its extensive database of expert-coded reaction rules and advanced algorithms. It enables chemists to explore innovative synthetic pathways that incorporate these newly discovered TCs, enhancing the efficiency and creativity of synthetic planning. By integrating Synthia^® into the synthesis process, researchers can streamline the design of complex syntheses, making it a valuable tool for modern synthetic chemistry.

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Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses
Gajewska, E.P.; Szymkuć, S.; Dittwald, P.; Startek, M.; Popik, O.; Mlynarski, J.; Grzybowski, B.A. | Chem (2020), 6, 280-293