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We have calculated global and local DFT reactivity descriptors for   aminocyclopyrachlor herbicide at the MP2/6-311++G (2d,2p) level of theory in   the aqueous phase. Global reactivity descriptors such as ionization energy,   molecular hardness, electrophilicity, and total energies were calculated to   evaluate the aminocyclopyrachlor reactivity. Local reactivity was evaluated   through the Fukui function. Our results suggest that the cationic and dipolar   forms of aminocyclopyrachlor exhibit similar global reactivity and they are   susceptible to deamination and decarboxylation. Also, the opening of the ring   might become factible through free radical attacks to the neutral form, while   a similar process is caused by nucleophilic attacks on the anionic form

Analysis of chemical reactivity of aminocyclopyrachlor herbicide through the Fukui function