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(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
Select a metabolite to form the next generation.
dealkylation
Probability 0.41
0.41
dealkylation
Probability 0.41
0.41
Ethyl carbonate
dealkylation
Probability 0.41
0.41
Ethyl formate
dealkylation
Probability 0.41
0.41
dealkylation
Probability 0.37
0.37
(11c)acetic acid
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