Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acetochlor
CCOCN(C(=O)CCl)c1c(C)cccc1CC
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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CCOCN(C(=O)CCl)C12OC1(C)C=CC=C2CC
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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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CCC1=CC=CC2(C)OC12NC(=O)CCl
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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CCC1=CC=CC2(C)OC12O
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dealkylation · 0.88
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation