Experimental and Computational Investigation of the 1,3-Dipolar Cycloaddition of the Ynamide tert -Butyl N -Ethynyl- N -phenylcarbamate with C -Carboxymethyl- N -phenylnitrilimine
✍ Scribed by González, Pedro Blas; Chandanshive, Jay Zumbar; Fochi, Mariafrancesca; Bonini, Bianca Flavia; Mazzanti, Andrea; Bernardi, Luca; Locatelli, Erica; Caruana, Lorenzo; Monasterolo, Claudio; Comes Franchini, Mauro
- Book ID
- 125451704
- Publisher
- John Wiley and Sons
- Year
- 2013
- Tongue
- English
- Weight
- 454 KB
- Volume
- 2013
- Category
- Article
- ISSN
- 1434-193X
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📜 SIMILAR VOLUMES
## Abstract The regiochemistry of 1,3‐dipolar cycloaddition reactions of __C__,__N__‐diphenyl nitrone with some vinyl sulfox‐ imines as dipolarophile was investigated using density functional theory (DFT)‐based reactivity indexes and activation energy calculations at B3LYP/6‐31G(d) level of theory.
## Abstract The different outcome of the title reaction is discussed based on MO theory.