Substrate
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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
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Generation 1
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<em>n</em>-(2-ethyl-6-methylphenyl)-2-chloroacetamide
CCc1cccc(C)c1NC(=O)CCl
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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 2
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hydroxylation
Probability 0.22
0.22
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hydroxylation
Probability 0.21
0.21
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hydrolysis
Probability 0.13
0.13
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hydrolysis
Probability 0.13
0.13
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Chloroacetic acid
hydrolysis
Probability 0.13
0.13
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Chloroacetaldehyde
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