Substrate
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Generation 1
XenoSite
Aniline
Nc1ccccc1
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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P-benzoquinone imine
N=C1C=CC(=O)C=C1
CHEBI
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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.
dehydration
Probability 0.45
0.45
dehydration
Probability 0.45
0.45
15o
hydrogenation
Probability 0.45
0.45
oxygen reduction
Probability 0.45
0.45
hydrogenation
Probability 0.33
0.33
Showing 5 of 21 metabolites
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