Acetic Acid → 2-(4-((6-Bromo-3-nitroquinolin-4-yl)amino)phenyl)-2-methylpropanenitrile

HRID 312101Notes

Reaction equation

HRID 312101 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([Cl:15])[c:6]([N+:12](=[O:13])[O-:14])[cH:7][n:8][c:9]2[cH:10][cH:11]1.[CH3:29][C:30](=[O:31])[OH:32].[NH2:16][c:17]1[cH:18][cH:19][c:20]([C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[cH:21][cH:22]1.[OH2:28]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([NH:16][c:17]3[cH:18][cH:19][c:20]([C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[cH:21][cH:22]3)[c:6]([N+:12](=[O:13])[O-:14])[cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 100578012-(4-Aminophenyl)-2-methylpropanenitrileHCID 219841286-Bromo-4-chloro-3-nitroquinoline

Product 1

HCID 426095672-(4-((6-Bromo-3-nitroquinolin-4-yl)amino)phenyl)-2-methylpropanenitrile

Sources & evidence

ORD record
ord-c3e0030172924514b82ef4629d43db9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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