科研之友
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摘要
In general, the methylation of 5-amino-1H-pyrazoles results in a pair of isomers obtained, while 5-amino-4-ethoxycarbonyl-3-(4,6-dimethyl-pyrirnidin-2-ylamino)-1H-pyrazole was treated with CH3I, only one primary product was obtained, which was explained by means of ab inito calculations. In this article, the geometrical conformation of the only one product optimized by calculation method is discussed.
