Main compound image
4,5-dimethyl-3-3nitro-n2-(pentan-3-yl)benzene-1,2-diamine
  • Other Name: N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine
  • InChIKey: DKAAQXSIAFALQW-UHFFFAOYSA-N
  • InChI: InChI=1S/C13H21N3O2/c1-5-10(6-2)15-12-11(14)7-8(3)9(4)13(12)16(17)18/h7,10,15H,5-6,14H2,1-4H3
  • SMILES: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)N
  • Exact Mass: 251.16338
  • Molecular Formula: C13H21N3O2
  • Compound CID: pubchemlite15186627 pubchem15186627
Hidden Reactions Filter Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products. These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph. To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.

You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
  • Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
  • Carbon dioxide → Formylmethanofuran
  • Acrolein → Chembl3706542
  • Ethylene oxide → Acetyl-coa
  • Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.

Click on a node or edge to see details here.

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