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Influence of Endo- and Exocyclic Heteroatoms on Stabilities and 1,3-Dipolar Cycloaddition Reactivities of Mesoionic Azomethine Ylides and Imines

The geometries, stabilities, and 1,3-dipolar cycloaddition reactivities of 24 mesoionic azomethine ylides and imines were investigated using density functional theory calculations at the M06-2X/6-311+G-(d,p)/M06-2X/6-31G-(d) level. The computed structures highlight how the commonly used "aromat...

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Publicado en:J Org Chem
Autores principales: Champagne, Pier Alexandre, Houk, K. N.
Formato: Artigo
Lenguaje:Inglês
Publicado: 2017
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC5679112/
https://ncbi.nlm.nih.gov/pubmed/28876936
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.joc.7b01928
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