The evaluation of chemoselectivity in multicomponent domino Knoevenagel/Diels-Alder reaction: A DFT study

Herein, the chemoselectivity of the multicomponent domino Knoevenagel/ Diels–Alder reaction is investigated in terms of theoretical calculations. The structures of reagents, transition states, intermediates and products are optimized at the M062X/6-31+G(d,p) level of theory. The reaction mechanism i...

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Autores principales: Attarbashi Mina, Zabarjad Shiraz Nader, Samadizadeh Marjaneh
Formato: article
Lenguaje:EN
Publicado: Serbian Chemical Society 2021
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Acceso en línea:https://doaj.org/article/a9b6d897252342dc8f5c5cef8fc4162f
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