Outline
DOI: 10.1039/d6dt02267g ISSN: 1477-9226
Computational elucidation of divergent skeletal reconstruction driven by site-selective protonation in o -aminotetrazole-derived substrates
Mingjing Tang, Jianquan Jing, Dongxu Ma, Boqian Yang, Zheng Lin, Haoming Zheng, Honglei Xia, Xiujuan Qi, Qinghua ZhangDFT calculations elucidate how site-selective protonation drives the divergent skeletal reconstruction of o -aminotetrazole substrates, yielding either azide- or carbonyl-substituted energetic azine N -oxides.
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