Substrate
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Generation 1
/
Generation 2
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
Generation 2
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CCC1=C(O)C2(C)OC2C=C1
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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 3
Select a metabolite to form the next generation.
hydrogenation
Probability 0.30
0.30
dealkylation
Probability 0.10
0.10
Tennesine hydride
dealkylation
Probability 0.10
0.10
Formaldehyde
dealkylation
Probability 0.10
0.10
dealkylation
Probability 0.10
0.10
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