Bifunctional Hydrogen Bond Donor‐Catalyzed Diels–Alder Reactions: Origin of Stereoselectivity and Rate Enhancement

The selectivity and rate enhancement of bifunctional hydrogen bond donor‐catalyzed Diels–Alder reactions between cyclopentadiene and acrolein were quantum chemically studied using density functional theory in combination with coupled‐cluster theory. (Thio)ureas render the studied Diels–Alder cycload...

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Detalles Bibliográficos
Autores principales: Vermeeren, Pascal, Hamlin, Trevor A., Bickelhaupt, F. Matthias, Fernández, Israel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8049058/
https://www.ncbi.nlm.nih.gov/pubmed/33169912
http://dx.doi.org/10.1002/chem.202004496

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8049058/
https://www.ncbi.nlm.nih.gov/pubmed/33169912
http://dx.doi.org/10.1002/chem.202004496

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