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Investigation into the Regiochemistry of Some Pyrazoles Derived from 1,3-Dipolar Cycloaddition of Methyl Methacrylate with Some Nitrilimines: A Combined Theoretical and Experimental Study

✍ Scribed by Mehdi Bakavoli; Farid Moeinpour; Abolghasem Davoodnia; Ali Morsali

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
125 KB
Volume
29
Category
Article
ISSN
0256-7660

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Investigation into the Regiochemistry of
Investigation into the Regiochemistry of 1,3-Dipolar Cycloaddition of C,N-Diphenyl Nitrone with Some Vinyl Sulfoximines as Dipolarophile: Theoretical Studies
✍ Farid Moeinpour 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 144 KB

## 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.