enviPath
  • Predict Pathway
    • Predict Pathway
    • Batch Prediction
  • Package
  • Search
  • Modelling
  • Browse Data
    • Pathway
    • Rule
    • Compound
    • Reaction
    • Model
    • Scenario
    • Setting
  • Info
    • Licences
    • Documentation Wiki
    • How to cite enviPath
    • Version: 0.0.1
  • Login
  1. Home
  2. Package
  3. EAWAG-BBD - 2025-04-29 19:23
  4. Rule
  5. bt0078-232
bt0078-232
Actions
  • Edit Rule

Nitrobenzenoid > Hydroxylaminobenzenoid

Image Representation

SMIRKS Representation

[#8-]-[#7+:1](=[O:4])-[c:2]1[c:5][c:6][c:7][c:8][c:9]1>>[H][#8:4]-[#7:1]-[c:2]1[c:5][c:6][c:7][c:8][c:9]1

Reactant SMARTS

[#8-]-[#7+:1](=[O:4])-[c:2]1[c:5][c:6][c:7][c:8][c:9]1

Reactant Filter SMARTS

None

Reactant SMARTS

[H][#8:4]-[#7:1]-[c:2]1[c:5][c:6][c:7][c:8][c:9]1

Product Filter SMARTS

None

Included in Composite Rules

bt0078

Scenarios

Reactions

Eawag BBD reaction r0463 Eawag BBD reaction r0465 Eawag BBD reaction r0466 Eawag BBD reaction r0469 Eawag BBD reaction r0625, Eawag BBD reaction r0624 Eawag BBD reaction r0849 Eawag BBD reaction r1495

Pathways

2,4,6-Trinitrotoluene (anaerobic) Nitrophenol Family (an/aerobic) o-Nitrobenzoate Trinitrotoluene

  • Eawag
  • The Univserity of Auckland
  • Contact

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


  • Sign In
  • Register
  • Why?

After you register, you have more permissions on this site, e.g., can create your own packages, submit data for review, and set access permissions to your data.


Please contact admin@envipath.org if you have any questions.

The password must contain 8 to 30 characters
The following characters are allowed: - Upper and lower case characters
- Digits
- Special characters _, -, +

Predict a Pathway