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.