Trapping acrylamide by a Michael addition: A computational study of the reaction between acrylamide and niacin
β Scribed by Papamokos, George; Dreyer, Jens; Navarini, Luciano; Carloni, Paolo
- Book ID
- 125446803
- Publisher
- John Wiley and Sons
- Year
- 2014
- Tongue
- English
- Weight
- 455 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
Conversion of the 2-keto group in the pyrrolo ring of pyrrolo(l,4)benzodiazepines to the vinyl triflate takes place regiospecifically to yield the enamine. The triflate undergoes palladium catalyzed coupling reactions to attach the acrylamide side chain.
The energetics of the reactions of FO radicals with methane is examined using ab initio molecular methods. The best estimate of the heat of reaction mzO is 4.2 f 2 kcal mol -' and AiY$ is 16.1+ 2 kcal mol -' calculated at the QCISD(T) /6-311+ +G( 2df, 2p) level of theory. The atmospheric implication