Substrate
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Generation 1
/
Generation 2
XenoSite
Anileridine
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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CCOC(=O)C1(c2ccccc2)CCN(CC=C2C=CC(N)=CC2=O)CC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 2
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CCOC(=O)C1(c2ccccc2)CCNCC1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 3
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hydrolysis
Probability 0.60
0.60
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A polyvinyl alcohol
hydrolysis
Probability 0.60
0.60
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hydrolysis
Probability 0.60
0.60
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hydroxylation
Probability 0.15
0.15
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dealkylation
Probability 0.13
0.13
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(11c)acetic acid
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