Exploring the Mechanism of the Intramolecular Diels–Alder Reaction of (2E,4Z,6Z)-2(allyloxy)cycloocta-2,4,6-trien-1-one Using Bonding Evolution Theory

In the present work, the bond breaking/forming events along the intramolecular Diels–Alder (IMDA) reaction of (2E,4Z,6Z)-2(allyloxy)cycloocta-2,4,6-trien-1-one have been revealed within bonding evolution theory (BET) at the density functional theory level, using the M05-2X functional with the cc-pVT...

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Detalles Bibliográficos
Autores principales: Adjieufack, Abel Idrice, Ongagna, Jean Moto, Essomba, Jean Serge, Ewonkem, Monique Bassomo, Oliva, Mónica, Safont, Vicent Sixte, Andrés, Juan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10574226/
https://www.ncbi.nlm.nih.gov/pubmed/37836598
http://dx.doi.org/10.3390/molecules28196755

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10574226/
https://www.ncbi.nlm.nih.gov/pubmed/37836598
http://dx.doi.org/10.3390/molecules28196755

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