Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Atropine
C[NH+]1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
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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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C[NH+]1C2CCC1CC(OC(=O)C(CO)C13C=CC=CC1O3)C2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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Tropine
C[NH+]1C2CCC1CC(O)C2
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 3
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Formic acid
O=CO
CHEBI
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Description
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dealkylation · 0.53
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation