期刊
ORGANIC LETTERS
卷 5, 期 22, 页码 4077-4080出版社
AMER CHEMICAL SOC
DOI: 10.1021/ol035526d
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资金
- NIGMS NIH HHS [GM61027] Funding Source: Medline
[GRAPHIC] Dediazoniation of adeninediazonium ion, 1, forms the heteroaromatic cation, 2. Ab initio studies at the CCSD(fc)/6-31G**//MP2(full)/6-31G** level now reveal that the cyclic cation 2 is kinetically and thermodynamically unstable with respect to the pyrimidine ring-opened cation, 3. The results suggest that 4-cyano-5-isocyano-imidazole, 4, and 4,5-dicyanoimidazole, 5, might be formed to some extent in nitrosative deaminations of adenine.
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