Substrate
/
Generation 1
/
Generation 2
XenoSite
Acetochlor
CCOCN(C(=O)CCl)c1c(C)cccc1CC
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
C=C1C=CC=C(CC)C1=NC(=O)CCl
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
CCC1=CC=CC2(CO2)C1=NC(=O)CCl
Copy JSON
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.37
0.37
dealkylation
Probability 0.26
0.26
dealkylation
Probability 0.26
0.26
dealkylation
Probability 0.26
0.26
oxidative dehalogenation
Probability 0.21
0.21
Showing 5 of 67 metabolites
Show all