3. Results and discussions
In Scheme 2, the amino group on FOX-7 is substituted by CH3NHNH2, and the H on the -NHNHCH3 group is transferred to the C attached to the nitro group. Subsequent multi-step isomerization reactions are carried out, and finally a ring formation reaction is carried out, and a triazole ring structure is formed. In Scheme 3, a new reaction path is proposed, and the lower energy barrier of this path is also proved by theoretical calculations. The biggest difference between Scheme 3 and Scheme 2 is that after the substitution reaction between CH3NHNH2 and FOX-7, the triazole ring is formed through the formation of a bond between the N on the -NHNHCH3 group and then the N on the nitro group, then isomerization reactions are carried out.