The reactivity of phenancyl bromide under β-cyclodextrin as supramolecular catalyst: a computational survey.

Abstract

Phenacyl bromide as one starting material in multicomponent reactions (MCRs) with β-cyclodextrin (β-CD) as catalyst can get an excellent yield in short reaction times. The interaction of β-CD with phenacyl bromide plays an important role in this process. This paper studies the complex of β-CD with phenacyl bromide using density functional theory (DFT… (More)
DOI: 10.1007/s00894-015-2680-7

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