Reducymol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Reducymol Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC=C(C(O)(c2cncnc2)C2CC2)C2OC12 stable oxygenation prediction

COC1=CC=C(C(O)(c2cncnc2)C2CC2)C2OC12 unstable oxygenation prediction

COC1=CC=C(C(O)(c2cncnc2)C2CC2)C2OC12 dehydrogenation prediction

COC1=CC=C(C(O)(c2cncnc2)C2CC2)C2OC12 reduction prediction

COC1=CC=C(C(O)(c2cncnc2)C2CC2)C2OC12 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

OC1=CC=C(C(O)(c2cncnc2)C2CC2)C2OC12 Quinonation prediction