A molecular electron density theory study for [3+2] cycloaddition reactions of N-benzylcyclohexylnitrone with methyl-3-butenoate
Author:
Affiliation:
1. Department of Chemistry
2. University of Zakho
3. Duhok
4. Iraq
5. Salahaddin University
6. Erbil
7. Molecular Modeling and Spectroscopy Research Team
8. Faculty of Science
9. Chouaïb Doukkali University
10. El Jadida 24000
11. Morocco
Abstract
The [3+2] cycloaddition (32CA) reactions of N-benzylcyclohexylnitrone 1 with methyl-3-butenoate 2 have been studied within molecular electron density theory (MEDT) at the B3LYP/6-311++G(d,p) level of theory.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ04049E
Reference46 articles.
1. Mechanistic study of the [2+2] cycloaddition reaction of cyclohexenone and its derivatives with vinyl acetate
2. Theoretical Study of the [4+2] Cycloaddition Reaction of Trifluoroethylene with Five-membered Chalcogens Heterocyclic Compounds
3. Theoretical Study for the [2+2] Cycloaddition Reaction Mechanism of Ketenes and their Derivatives
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