Substrate
/
Generation 1
XenoSite
Alclofenac
C=CCOc1ccc(CC(=O)O)cc1Cl
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=CCOC1=CC=C(CC(=O)O)C2OC12Cl
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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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epoxidation
Probability 0.23
0.23
oxidative dehalogenation
Probability 0.16
0.16
oxidative dehalogenation
Probability 0.16
0.16
Acidum hydrochloricum
dealkylation
Probability 0.09
0.09
Acrylic acid
dealkylation
Probability 0.09
0.09
Acrolein
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