ArticleRSC advances2026
Unveiling the reaction mechanism and the regioselectivity of Diels-Alder cycloadditions between 2-methoxy-3-thiophenylbutadiene and methyl vinyl ketone using topological tools.
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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1 citing paper in PubMed.
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Authors and funding
5 authors.
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Abstract
The [4 + 2] Diels-Alder cycloaddition reaction between 2-methoxy-3-thiophenylbutadiene 1 and methyl vinyl ketone 2 has been studied at the density functional theory level using a panoply of tools to unravel the regioselectivity and the reaction mechanisms. From the analysis of the CDFT reactivity indices, 2 behaves as an electrophile, while 1 behaves as a nucleophile. This cycloaddition is characterized by a non-polar character as evaluated by a low value of the electrophilicity difference between the reactants as well as a low value of the global electron density transfer at the transition state. Futher, the bonding evolution theory shows that this reaction takes place
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