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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NC1=CC2OC2C=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 2
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hydrogenation
Probability 0.34
0.34
epoxide opening
Probability 0.09
0.09
epoxide opening
Probability 0.09
0.09
nitrogen oxidation
Probability 0.09
0.09
nitrogen oxidation
Probability 0.09
0.09
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