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Pyrylium tetrafluoroborate; Deaminative chlorination; Constitutional isomerism; Structure elucidation; Heterocyclic chemistry
Abstract:
During investigations on our deaminative chlorination protocol, a misassignment between two constitutional isomers of a benzofused isothiazole was encountered. Herein, we provide a clue game in order to identify the correct structure of the reported molecule as well as an investigation on the origin of the error. Finally, a revised synthesis of the previously published examples was proposed to provide the practitioners reliable data en route to reproducible science.