Mechanism and Transition-State Structures for Nickel-Catalyzed Reductive Alkyne−Aldehyde Coupling Reactions

The mechanism of nickel-catalyzed reductive alkyne−aldehyde coupling reactions has been investigated using density functional theory. The preferred mechanism involves oxidative cyclization to form the nickeladihydrofuran intermediate followed by transmetalation and reductive elimination. The rate- a...

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Bibliographic Details
Main Authors: McCarren, Patrick R. (Author), Liu, Peng (Author), Cheong, Paul Ha-Yeon (Author), Jamison, Timothy F. (Contributor), Houk, K. N. (Author)
Other Authors: Massachusetts Institute of Technology. Department of Chemistry (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2013-11-13T15:09:02Z.
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