1-Chloro-2,4-Dinitrobenzene → Chloride

HRID 299059Notes

Reaction equation

HRID 299059 reaction equation
[CH2:25]([O:26][CH2:27][CH3:28])[CH3:29].[CH3:23][OH:24].[NH2:14][C:15](=[O:16])[c:17]1[cH:18][cH:19][cH:20][n:21][cH:22]1.[O-:1][N+:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([Cl:8])[c:9]([N+:11]([O-:12])=[O:13])[cH:10]1>>[Cl-:8].[O-:1][N+:2](=[O:3])[c:4]1[cH:5][cH:6][c:7](-[n+:21]2[cH:20][cH:19][cH:18][c:17]([C:15]([NH2:14])=[O:16])[cH:22]2)[c:9]([N+:11]([O-:12])=[O:13])[cH:10]1

Participants

6

Reactant 4

HCID 61-Chloro-2,4-DinitrobenzeneHCID 887MethanolHCID 936NicotinamideHCID 3283Diethyl Ether

Product 2

HCID 312ChlorideHCID 421768Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-

Sources & evidence

ORD record
ord-ea834c28feb9420e881421d5bef19feb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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