Acetylaminoantipyrine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Acetylaminoantipyrine stable oxygenation prediction

Acetylaminoantipyrine unstable oxygenation prediction

Acetylaminoantipyrine dehydrogenation prediction

Acetylaminoantipyrine reduction prediction

Acetylaminoantipyrine hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)Nc1c(CO)n(C)n(-c2ccccc2)c1=O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CN1C(=CO)C(=N)C(=O)N1c1ccccc1 N-Dealkylation prediction

Generation 3

Formaldehyde

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Formaldehyde Epoxidation prediction