Substrate
/
Generation 1
XenoSite
Acetochlor
CCOCN(C(=O)CCl)c1c(C)cccc1CC
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
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C=C1C=CC=C(CC)C1=[N+](COCC)C(=O)CCl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrogenation
Probability 0.28
0.28
hydrolysis
Probability 0.25
0.25
hydrolysis
Probability 0.25
0.25
Chloroacetic acid
hydrolysis
Probability 0.25
0.25
Chloroacetaldehyde
dealkylation
Probability 0.14
0.14
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