Applied Sciences, Volume 11, Issue 12
2021 June-2 - 446 articles
Cover Story: The chemical systems that allow for quantitative and irreversible transformations are of considerable interest in numerous fields of science and technology. 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. 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. The investigated processes lead to permanently ionized and UV-fluorescent triazolinium salts. The paper aims to explore theoretical mapping of the studied chemical reactivity and identification of factors that limit this chemical transformation. View this paper - Issues are regarded as officially published after their release is announced to the table of contents alert mailing list .
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