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How Do Aromatic Nitro Compounds React with Nucleophiles? Theoretical Description Using Aromaticity, Nucleophilicity and Electrophilicity Indices

In this study, we present a complete description of the addition of a model nucleophile to the nitroaromatic ring in positions occupied either by hydrogen (the first step of the S(N)Ar-H reaction) or a leaving group (S(N)Ar-X reaction) using theoretical parameters including aromaticity (HOMA), elect...

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Detalles Bibliográficos
Autores principales:	Błaziak, Kacper, Danikiewicz, Witold, Mąkosza, Mieczysław
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7587944/ https://www.ncbi.nlm.nih.gov/pubmed/33092140 http://dx.doi.org/10.3390/molecules25204819

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