Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products.
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ABSTRACT:
SUBMITTER: Hardy MA
PROVIDER: S-EPMC9893929 | biostudies-literature | 2022 Jan
REPOSITORIES: biostudies-literature
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Strategic elements in computer-assisted retrosynthesis: A case study of the pupukeanane natural products.
Hardy Melissa A MA Nan Bozhao B Wiest Olaf O Sarpong Richmond R
Tetrahedron 20211206
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<sup>™</sup> are compared to previous syntheses of these molecules. In addition, novel synthesis routes are proposed ...[more]
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