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Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products
Melissa A Hardy1, Bozhao Nan2, Olaf Wiest2
1Department of Chemistry, University of California, Berkeley, CA, 94720, United States.
Abstract:
Computer-assisted synthesis planning represents a growing area of research, especially for complex molecule synthesis. Here, we present a case study involving the pupukeanane natural products, which are complex, marine-derived, natural products with unique tricyclic scaffolds. Proposed routes to members of each skeletal class informed by pathways generated using the program Synthia™ are compared to previous syntheses of these molecules. In addition, novel synthesis routes are proposed to pupukeanane congeners that have not been prepared previously.
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