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: | , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Serbian Chemical Society
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/a9b6d897252342dc8f5c5cef8fc4162f |
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