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  3. EAWAG-BBD - 2025-04-29 19:23
  4. Rule
  5. bt0023-3854
bt0023-3854
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dialiphatic Ether + aromatic-aliphatic Ether > Alcohol + Aldehyde + Phenol derivative + Aldehyde

Image Representation

SMIRKS Representation

[H][#6;A;!$([#6]=[#8]):3]!@-[#8:2]!@-[#6;!$([#6]=[#8]):1]>>[#6:1]-[#8:2].[#6;A:3]=O

Reactant SMARTS

[H][#6;A;!$([#6]=[#8]):3]!@-[#8:2]!@-[#6;!$([#6]=[#8]):1]

Reactant Filter SMARTS

[$(COC=O),$([#1A]C([O;H1])OC)]

Reactant SMARTS

[#6:1]-[#8:2].[#6;A:3]=O

Product Filter SMARTS

None

Included in Composite Rules

bt0023

Scenarios

Reactions

Eawag BBD reaction r0082 Eawag BBD reaction r0146 Eawag BBD reaction r0154 Eawag BBD reaction r0274 Eawag BBD reaction r0281 Eawag BBD reaction r0359 Eawag BBD reaction r0758 Eawag BBD reaction r1023 Eawag BBD reaction r1534 Eawag BBD reaction r1632 Eawag BBD reaction r1672

Pathways

2,4,5-Trichlorophenoxyacetic Acid 2,4-Dichlorophenoxyacetic Acid Dimethyl ether Methyl tert-butyl ether Morpholine Syringate Vanillin

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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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