Substrate
Generation 1
Generation 2

Amrinone

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Amrinone stable oxygenation prediction

Amrinone unstable oxygenation prediction

Amrinone dehydrogenation prediction

Amrinone reduction prediction

Amrinone hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(-c2ccncc2O)c[nH]c1=O Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Nc1cc(C2=CC=NC(=O)C2=O)c[nH]c1=O UGT Conjugation prediction