☆ 4.6 Article

The mechanism of the NHC catalyzed aza-Morita-Baylis-Hillman reaction: insights into a new substrate-catalyzed bimolecular pathway

ORGANIC & BIOMOLECULAR CHEMISTRY (2014)

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ORGANIC & BIOMOLECULAR CHEMISTRY
卷 12, 期 14, 页码 2176-2179

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c3ob42273a

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Chemistry, Organic

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  1. IRCC IIT Bombay [12IRAWD005]
  2. INSPIRE fellowship from DST (New Delhi)

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The first mechanistic study on the NHC-catalyzed aza-MBH reaction between cyclopentenone and N-mesylbenzaldimine using density functional theory reveals that a bimolecular mechanism, involving two molecules of benzaldimine in the proton transfer, is energetically more preferred over the conventional direct proton transfer.

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