Jimmy Kromann, Jan H. Jensen, Monika M. Kruszyk, Mikkel Jessing, Morten Jørgensen
Abstract
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A fast and user-friendly computational for predicting the regioselectivity of electrophilic aromatic substitution reactions of heteroaromatic systems is presented.
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A fast and user-friendly computational for predicting the regioselectivity of electrophilic aromatic substitution reactions of heteroaromatic systems is presented.
Key concepts: Regioselectivity, Electrophilic aromatic substitution, Electrophile, Electrophilic substitution, Chemistry, Substitution (logic), Computational chemistry, Substitution reaction