A Comprehensive Study of the Synthesis, Spectral Characteristics, Quantum–Chemical Molecular Electron Density Theory, and In Silico Future Perspective of Novel CBr<sub>3</sub>-Functionalyzed Nitro-2-Isoxazolines Obtained via (3 + 2) Cycloaddition of (<i>E</i>)-3,3,3-Tribromo-1-Nitroprop-1-ene

A Comprehensive Study of the Synthesis, Spectral Characteristics, Quantum–Chemical Molecular Electron Density Theory, and In Silico Future Perspective of Novel CBr<sub>3</sub>-Functionalyzed Nitro-2-Isoxazolines Obtained via (3 + 2) Cycloaddition of (<i>E</i>)-3,3,3-Tribromo-1-Nitroprop-1-ene

The search for new heterocyclic compounds with biological potential is one of the current challenges in modern chemistry. Therefore, the comprehensive study of (3 + 2) cycloaddition (32CA) reactions between a series of aryl-substituted nitrile N-oxides (NOs) and (<i>E</i>)-3,3,3-tribromo...

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Main Authors: Karolina Zawadzińska-Wrochniak, Karolina Kula, Mar Ríos-Gutiérrez, Bartłomiej Gostyński, Tomasz Krawczyk, Radomir Jasiński
Format: Article
Language:English
Published: MDPI AG 2025-05-01
Series:Molecules
Subjects:
(3 + 2) cycloaddition
nitrile oxide
nitroalkene
molecular mechanism
molecular electron density theory
molecular docking
Online Access:https://www.mdpi.com/1420-3049/30/10/2149
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