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Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactions† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04156j

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A fast and user-friendly computational for predicting the regioselectivity of electrophilic aromatic substitution reactions of heteroaromatic systems is presented. Click to show full abstract

A fast and user-friendly computational for predicting the regioselectivity of electrophilic aromatic substitution reactions of heteroaromatic systems is presented.

Keywords: aromatic substitution; electrophilic aromatic; regioselectivity electrophilic; substitution reactions

Journal Title: Chemical Science
Year Published: 2018

Link to full text (if available)


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