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A broadly applicable quantitative relative reactivity model for nucleophilic aromatic substitution (S(N)Ar) using simple descriptors

We report a multivariate linear regression model able to make accurate predictions for the relative rate and regioselectivity of nucleophilic aromatic substitution (S(N)Ar) reactions based on the electrophile structure. This model uses a diverse training/test set from experimentally-determined relat...

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Detalles Bibliográficos
Autores principales:	Lu, Jingru, Paci, Irina, Leitch, David C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9645419/ https://www.ncbi.nlm.nih.gov/pubmed/36519044 http://dx.doi.org/10.1039/d2sc04041g

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