Substrate
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Generation 1
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Generation 2
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Generation 3
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(C)C2OC2C=C1CC
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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
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CCC1=CC2OC2C(C)=C1NC(=O)CCl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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Chloroacetamide
NC(=O)CCl
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 4
Select a metabolite to form the next generation.
oxidative dehalogenation
Probability 0.58
0.58
Acidum hydrochloricum
oxidative dehalogenation
Probability 0.58
0.58
Oxamic acid
oxidative dehalogenation
Probability 0.58
0.58
Glycollamide
hydroxylation
Probability 0.26
0.26
hydroxylation
Probability 0.26
0.26
Showing 5 of 23 metabolites
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