Mechanistic Insights into the Rh-Catalyzed Transannulation of Pyridotriazole with Phenylacetylene and Benzonitrile: A DFT Study.

@article{Wang2017MechanisticII,
  title={Mechanistic Insights into the Rh-Catalyzed Transannulation of Pyridotriazole with Phenylacetylene and Benzonitrile: A DFT Study.},
  author={Chenli Wang and Yunfei Zhou and Xiaoguang Bao},
  journal={The Journal of organic chemistry},
  year={2017},
  volume={82 7},
  pages={3751-3759}
}
Computational studies were carried out to explore the mechanisms of Rh2(OAc)4-catalyzed transannulation of pyridotriazole with phenylacetylene and benzonitrile, respectively. For the Rh2(OAc)4-catalyzed divergent cyclization with phenylacetylene, the major product (cyclopropene derivative) might be formed via [2 + 2] cycloaddition to yield a… CONTINUE READING