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🧪 4-Amino-2,6-dinitrotoluene

Appears in: 2 pathways
Produces: 2 compounds
Produced by: 4 transformations

Chemical Structure

4-Amino-2,6-dinitrotoluene

📋 Properties

SMILES:
O=[N+]([O-])C1=CC(N)=CC(=C1C)[N+](=O)[O-]
InChI:
InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
Database ID:
531
External:
View on PubChem ↗

🔬 Reactant

Reactant 4-Amino-2,6-dinitrotoluene → Product 2,4-Diamino-6-nitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0461)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 4-Amino-2,6-dinitrotoluene → Product 4-Amino-2-hydroxylamino-6-nitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0463)       (EC 1.7.1.-)
In pathway: Trinitrotoluene

🔬 Product

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 2,4,6-Trinitrotoluene → Product 4-Amino-2,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0460)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
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 2,4,6-Trinitrotoluene → Product 4-Amino-2,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0460)       (EC 1.7.1.-)
In pathway: Trinitrotoluene

🗺️ All Pathways Containing This Compound

2,4,6-Trinitrotoluene (anaerobic) Trinitrotoluene
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