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Computational Insights into an Enzyme-Catalyzed [4+2] Cycloaddition

[Image: see text] The enzyme SpnF, involved in the biosynthesis of spinosyn A, catalyzes a formal [4+2] cycloaddition of a 22-membered macrolactone, which may proceed as a concerted [4+2] Diels–Alder reaction or a stepwise [6+4] cycloaddition followed by a Cope rearrangement. Quantum mechanics/molec...

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Detalles Bibliográficos
Autores principales: Zheng, Yiying, Thiel, Walter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5735378/
https://www.ncbi.nlm.nih.gov/pubmed/29131960
http://dx.doi.org/10.1021/acs.joc.7b02794