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Unveiling the mechanism and selectivity of the [3 + 2] cycloaddition reactions of nitrone with acetylene derivatives leading to anticancer 4-isoxazoline derivatives from the MEDT perspective

Moulay Driss Mellaoui, Khalid Abbiche, Nivedita Acharjee, Haydar Mohammad‐Salim, Abdallah Imjjad, Rachid Boutiddar, Khadija Marakchi, S. El Issami, Hanane Zejli

2024Computational and Theoretical Chemistry11 citationsDOI

Topics & Concepts

CycloadditionNitroneChemistryDensity functional theoryAcetyleneElectron transferElectron densityElectron localization functionCovalent bondComputational chemistryMoleculePericyclic reactionPhotochemistryElectronStereochemistryOrganic chemistryCatalysisPhysicsQuantum mechanicsOrganic Chemistry Cycloaddition ReactionsFree Radicals and AntioxidantsPhotochemistry and Electron Transfer Studies
Unveiling the mechanism and selectivity of the [3 + 2] cycloaddition reactions of nitrone with acetylene derivatives leading to anticancer 4-isoxazoline derivatives from the MEDT perspective | Litcius