The article from Hardy et al. explores the use of Synthia^® retrosynthesis software in devising synthetic routes for the complex pupukeanane natural products. These marine-derived compounds feature unique tricyclic scaffolds, presenting significant challenges for synthesis. The study compares Synthia^®-generated pathways with traditional synthesis methods, highlighting the software's ability to propose novel routes that incorporate strategic disconnections and key carbon-carbon bond formations. This approach not only advances the science of synthesis by offering new perspectives but also underscores the importance of computational tools in tackling moderately complex natural products.

Synthia^® utilizes a vast database of expert-coded reaction rules to simulate a chemist's approach to retrosynthesis. By prioritizing selective reactions and leveraging computational analysis, Synthia^® can efficiently navigate the synthesis of sp3-rich, complex targets like the pupukeanane family. This capability is particularly valuable for identifying feasible synthetic routes that can be validated in the laboratory, thereby enhancing the chemist's toolkit for innovative synthesis planning.

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Melissa A. Hardy, Bozhao Nan, Olaf Wiest, Richmond Sarpong,
Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products,

Tetrahedron, Volume 104, 2022, 132584, ISSN 0040-4020,