氮杂稠环类单质炸药的设计合成已经成为寻求能量与感度平衡的重要途径。1,2,3-三嗪拥有高的正生成焓、高氮含量，丰富的化学修饰位点，用于构建高能低感稠环单质炸药分子骨架极富潜力。然而，由于缺少有效的合成方法，目前关于1,2,3-三嗪稠环含能分子的研究极少。我们首次发现了一种重排反应，可以通过一步反应在二元稠环中构建1,2,3-三嗪骨架、氮氧化结构。基于此，本项目拟开展含有1,2,3-三嗪-2-氧化物结构的稠环单质炸药分子的设计合成及性能研究。通过理论计算结合实验验证的方法，深入探讨重排反应机理，探索反应适用范围。对获得的各种含有1,2,3-三嗪环的稠环单质炸药能量及安全性进行对比研究，探索此类稠环含能化合物结构、能量与安全性之间的影响规律。获得综合性能优异的新型稠环类炸药分子。本项目的开展将丰富稠环类单质炸药的合成方法及分子设计理论，对于当前高能低感单质炸药的发展具有重要的意义。

Design and synthesis of novel N-heterocyclic fused single-component explosives is an important approach for solving the contradictory problem between high energy and low sensitivity. 1,2,3-triazine has high enthalpy of positive formation, high nitrogen content and abundant chemical modification sites, so it has great potential to construct the molecular framework of N-heterocyclic fused single-component explosives. However, due to the lack of effective synthesis methods, there are few studies on explosive molecules based on 1,2,3-triazine. We discovered a rearrangement reaction that can construct 1,2,3-triazine and N-oxide structure in one-step reaction. So this project aims to design, synthesis and study the properties of novel N-heterocyclic fused single-component explosives based on 1,2,3-triazine 2-oxide. The rearrangement mechanism will be studied in depth and the applicable scope will be explored by theoretical calculation and experimental verification. The energy and safety level of these N-heterocyclic fused single-component explosives will be compared. We will summarize the relationships of structure-energy-safety and obtain novel N-heterocyclic fused explosives with excellent comprehensive performance. The successful implementation of this project will enrich the design theory of N-heterocyclic fused single-component explosives and have important significance for the development of high energy and low sensitivity single-component explosives.