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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| Main Authors: | , , |
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| Format: | article |
| Language: | EN |
| Published: |
Serbian Chemical Society
2021
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| Subjects: | |
| Online Access: | https://doaj.org/article/a9b6d897252342dc8f5c5cef8fc4162f |
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