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- W2952173631 abstract "Reaction of ethyl-2-cyano-3,3-dimercaptoacrylate dipotassium salt with 2-chloroethylamine hydrochloride in water afforded the novel (4E,6E)-ethyl 5-amino-2,3-dihydro-7-mercapto-1,4-thiazepine-6-carboxylate. The molecular geometry of the most stable tautomeric structure was investigated with DFT and AIM at the B3LYP level of theory using the 6-31G** and 6-311+G** basis sets." @default.
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- W2952173631 date "2009-09-22" @default.
- W2952173631 modified "2023-09-27" @default.
- W2952173631 title "ChemInform Abstract: Green Synthesis of a Novel Functionalized Tetrahydro-1,4-thiazepine and Computational Studies of Its Tautomeric Structures." @default.
- W2952173631 cites W2006576804 @default.
- W2952173631 doi "https://doi.org/10.1002/chin.200938171" @default.
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