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  3. EAWAG-BBD - 2025-04-29 19:23
  4. Rule
  5. bt0027-3456
bt0027-3456
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primary Amide > Carboxylate

Image Representation

SMIRKS Representation

[#6:5]-[#6:1]([#7;AH2])=[O:4]>>[#6:5]-[#6:1](-[#8-])=[O:4]

Reactant SMARTS

[#6:5]-[#6:1]([#7;AH2])=[O:4]

Reactant Filter SMARTS

None

Reactant SMARTS

[#6:5]-[#6:1](-[#8-])=[O:4]

Product Filter SMARTS

None

Included in Composite Rules

bt0027

Scenarios

Reactions

Eawag BBD reaction r0084 Eawag BBD reaction r0375 Eawag BBD reaction r0545 Eawag BBD reaction r0700 Eawag BBD reaction r1346 Eawag BBD reaction r1440 Eawag BBD reaction r1586 Eawag BBD reaction r1605 Eawag BBD reaction r1826

Pathways

Acrylonitrile Atenolol Benzonitrile Bromoxynil (an/aerobic) Dichlobenil Isoniazid Thioacetamide Z-Phenylacetaldoxime

  • Eawag
  • The Univserity of Auckland
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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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