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We report here computational evidence for a metalla‐Claisen rearrangement (MCR) in the case of gold‐catalyzed [4+2] cycloaddition reaction of yne‐dienes. The [4+2] reaction starts from exo cyclopropanation, followed by MCR and reductive elimination. The cyclopropane moiety formed in the first step is crucial for a low barrier of the MCR step. In addition, the importance of an appropriate combination...
We report here computational evidence for a metalla‐Claisen rearrangement (MCR) in the case of gold‐catalyzed [4+2] cycloaddition reaction of yne‐dienes. The [4+2] reaction starts from exo cyclopropanation, followed by MCR and reductive elimination. The cyclopropane moiety formed in the first step is crucial for a low barrier of the MCR step. In addition, the importance of an appropriate combination...
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