Substrate
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Generation 1
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Generation 2
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
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Generation 1
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CCOCN(C(=O)CCl)C1=C(CC)C2OC2C=C1C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Chloroacetic acid
O=C(O)CCl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
Select a metabolite to form the next generation.
oxidative dehalogenation
Probability 0.47
0.47
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Acidum hydrochloricum
oxidative dehalogenation
Probability 0.47
0.47
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Oxalic acid
oxidative dehalogenation
Probability 0.47
0.47
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Glycolic acid
hydroxylation
Probability 0.11
0.11
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hydroxylation
Probability 0.11
0.11
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Showing 5 of 23 metabolites
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