DFT analysis of the [3 + 2] heterocyclization reaction of ((1,2,4-triazole(1,3,4-oxadiazole)-3(2)-yl)methyl)thiopyrimidines
The article examines the mechanisms of the heterocyclization reaction using density functional theory (DFT) methods. A quantum-chemical analysis of the starting compounds, transition states, and products was conducted, with energy barriers and key reaction stages identified. Particular attention was...
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| Format: | Article |
| Language: | English |
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Zaporizhzhia State Medical and Pharmaceutical University
2025-03-01
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| Series: | Aktualʹnì Pitannâ Farmacevtičnoï ì Medičnoï Nauki ta Praktiki |
| Subjects: | |
| Online Access: | http://pharmed.zsmu.edu.ua/article/view/321480/314592 |
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