Nitric Acid → 3-Nitro-4-(propan-2-yl)aniline

HRID 683198Notes

Reaction equation

HRID 683198 reaction equation
[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([NH2:8])[cH:9][cH:10]1.[OH2:15].[OH:11][N+:12]([O-:13])=[O:14].[S:16](=[O:17])(=[O:18])([OH:19])[OH:20]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([N+:12](=[O:11])[O-:13])[cH:6][c:7]([NH2:8])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 74644-Isopropylaniline

Product 1

HCID 221118273-Nitro-4-(propan-2-yl)aniline

Sources & evidence

ORD record
ord-e27767e7a3714ec684e0f8b8a0925b66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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