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  3. EAWAG-BBD - 2025-04-29 19:23
  4. Rule
  5. bt0162-4180
bt0162-4180
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disubstituted Sulfide > disubstituted Sulfoxide

Image Representation

SMIRKS Representation

[#6:2][#16;D2;!$([#16+]([C])[C]):1][#6,#7:3]>>[#6:2][S:1]([#6,#7:3])=O

Reactant SMARTS

[#6:2][#16;D2;!$([#16+]([C])[C]):1][#6,#7:3]

Reactant Filter SMARTS

[$(*[S]=O),$(c1ccc2scnc2c1)]

Reactant SMARTS

[#6:2][S:1]([#6,#7:3])=O

Product Filter SMARTS

None

Included in Composite Rules

bt0162

Scenarios

Reactions

Eawag BBD reaction r0037 Eawag BBD reaction r1017, Eawag BBD reaction r1016 Eawag BBD reaction r1287 Eawag BBD reaction r1600 Eawag BBD reaction r1658

Pathways

2-Mercaptobenzothiazole Benzothiophene Desulfurization Benzyl Sulfide Dibenzothiophene Desulfurization Phorate

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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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