Water Catalysis in the Morita–Baylis–Hillman Reaction: A Mechanistic Perspective

The role of water as the co-solvent in the Morita–Baylis–Hillman reaction was studied by using ab initio and DFT methods. The activation energy for the rate-determining step was predicted to decrease significantly upon the inclusion of explicit water molecules, which suggests the involvement of water catalysis (see figure). Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.

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