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  3. EAWAG-BBD - 2025-06-23 18:55
  4. Rule
  5. bt0002-3673
bt0002-3673
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secondary Alcohol > Ketone + Ester

Image Representation

SMIRKS Representation

[H][#8:1][#6;A;!$(CCC(O)[O-]):2]([H])([#6:5])[#6,#8:6]>>[#6:5]-[#6:2](-[#6,#8:6])=[O:1]

Reactant SMARTS

[H][#8:1][#6;A;!$(CCC(O)[O-]):2]([H])([#6:5])[#6,#8:6]

Reactant Filter SMARTS

[$([O;H1]C1C=CC=CC1[O;H1])]

Reactant SMARTS

[#6:5]-[#6:2](-[#6,#8:6])=[O:1]

Product Filter SMARTS

None

Included in Composite Rules

bt0002

Scenarios

Reactions

Eawag BBD reaction r0018 Eawag BBD reaction r0165 Eawag BBD reaction r0250, Eawag BBD reaction r0032 Eawag BBD reaction r0408 Eawag BBD reaction r0427 Eawag BBD reaction r0714 Eawag BBD reaction r0717 Eawag BBD reaction r0740 Eawag BBD reaction r0852 Eawag BBD reaction r0853 Eawag BBD reaction r1048 Eawag BBD reaction r1176 Eawag BBD reaction r1481 Eawag BBD reaction r1648 Eawag BBD reaction r1743 Eawag BBD reaction r1753 Eawag BBD reaction r1823

Pathways

Acenaphthylene alpha-Pinene Atropine Bisphenol F (+)-Camphor Cyclohexane Ethylbenzene Ethylbenzene (anaerobic) Fluorene Ketoprofen Limonene Mandelate Propylene Tetrahydrofuran Tetralin

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How to cite enviPath

enviPath–The environmental contaminant biotransformation pathway resource. J Wicker, T Lorsbach, M Gütlein, E Schmid, D Latino, S Kramer, K Fenner. Nucleic Acids Research, gkv1229


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