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
About this model
Generation 1
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CCOCN(C(=O)CCl)C1=C(CC)C=CC2OC12C
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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
Select a metabolite to form the next generation.
dealkylation
Probability 0.37
0.37
(11c)acetic acid
dealkylation
Probability 0.37
0.37
An oxidized polyvinyl alcohol
dealkylation
Probability 0.37
0.37
dealkylation
Probability 0.37
0.37
A polyvinyl alcohol
dealkylation
Probability 0.31
0.31
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