![]() The paper aims to explore theoretical mapping of the studied chemical reactivity and identification of factors that limit this chemical transformation. ![]() The investigated processes lead to permanently ionized and UV-fluorescent triazolinium salts. This contribution is devoted to the study of the tandem Mannich–electrophilic amination reaction, which involves ‘spring-loaded’ substrates, i.e., pyrido-isoxazolones, and iminium salts derived from secondary amines and formaldehyde. ![]() Contrarily, theoretical methods of quantum chemistry are rarely utilized by experimental chemists to plan and track back their work since it is a complex time-consuming endeavor. The chemical systems that allow for quantitative and irreversible transformations are of considerable interest in numerous fields of science and technology.
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