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
About this model
Generation 1
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C=C1C=CC=C(CC)C1=NCOCC
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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.
hydrogenation
Probability 0.45
0.45
dealkylation
Probability 0.39
0.39
dealkylation
Probability 0.39
0.39
Ethyl carbonate
dealkylation
Probability 0.39
0.39
Ethyl formate
dealkylation
Probability 0.39
0.39
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