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
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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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
dehydration
Probability 0.51
0.51
Chloroethane
dehydration
Probability 0.51
0.51
15o
hydrogenation
Probability 0.51
0.51
Glycol chlorohydrin
oxygen reduction
Probability 0.51
0.51
Glycol chlorohydrin
oxidative dehalogenation
Probability 0.50
0.50
Acidum hydrochloricum
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