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🧪 4-Hydroxylamino-2,6-dinitrotoluene

Appears in: 2 pathways
Produces: 6 compounds
Produced by: 2 transformations

Chemical Structure

4-Hydroxylamino-2,6-dinitrotoluene

📋 Properties

SMILES:
O=[N+]([O-])C1=CC(=CC(=C1C)[N+](=O)[O-])NO
InChI:
InChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3
Database ID:
570
External:
View on PubChem ↗

🔬 Reactant

Reactant 4-Hydroxylamino-2,6-dinitrotoluene → Product 4-Amino-2,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0500)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 4-Hydroxylamino-2,6-dinitrotoluene → Product 2,4-Dihydroxylamino-6-nitrotoluene
nitrobenzene nitroreductase (Eawag BBD reaction r0466)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 4-Hydroxylamino-2,6-dinitrotoluene → Product 2,4-Dihydroxylamino-6-nitrotoluene
nitrobenzene nitroreductase (Eawag BBD reaction r0466)       (EC 1.7.1.-)
In pathway: Trinitrotoluene
Reactant 4-Hydroxylamino-2,6-dinitrotoluene → Product 4-Amino-2,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0500)       (EC 1.7.1.-)
In pathway: Trinitrotoluene
Reactant 4-Hydroxylamino-2,6-dinitrotoluene → Product 2,2`,6,6`-Tetranitro-4,4`-azoxytoluene
Eawag BBD reaction r0468
In pathway: Trinitrotoluene
Reactant 4-Hydroxylamino-2,6-dinitrotoluene → Product 2,4`,6,6`-Tetranitro-4,2`-azoxytoluene
Eawag BBD reaction r0470
In pathway: Trinitrotoluene

🔬 Product

Reactant 2,4,6-Trinitrotoluene → Product 4-Hydroxylamino-2,6-dinitrotoluene
nitrobenzene nitroreductase (Eawag BBD reaction r0465)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 2,4,6-Trinitrotoluene → Product 4-Hydroxylamino-2,6-dinitrotoluene
nitrobenzene nitroreductase (Eawag BBD reaction r0465)       (EC 1.7.1.-)
In pathway: Trinitrotoluene

🗺️ All Pathways Containing This Compound

2,4,6-Trinitrotoluene (anaerobic) Trinitrotoluene
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