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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Chloroacetaldehyde
O=CCCl
CHEBI
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Description
▾
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 2
Select a metabolite to form the next generation.
dehydration
Probability 0.51
0.51
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Chloroethane
dehydration
Probability 0.51
0.51
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15o
hydrogenation
Probability 0.51
0.51
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Glycol chlorohydrin
oxygen reduction
Probability 0.51
0.51
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Glycol chlorohydrin
oxidative dehalogenation
Probability 0.50
0.50
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Acidum hydrochloricum
Showing 5 of 19 metabolites
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