Acetonitrile → Bromide ion

HRID 183083Notes

Reaction equation

HRID 183083 reaction equation
[CH3:12][N:13]([c:14]1[cH:15][cH:16][c:17]([CH:18]=[N:19][n:20]2[c:21](-[c:25]3[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]3)[n:22][cH:23][cH:24]2)[cH:33][cH:34]1)[CH3:35].[CH3:36][C:37]#[N:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH2:7][Br:8])=[O:9])[cH:10][cH:11]1>>[Br-:8].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH2:7][n+:22]2[c:21](-[c:25]3[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]3)[n:20]([N:19]=[CH:18][c:17]3[cH:16][cH:15][c:14]([N:13]([CH3:12])[CH3:35])[cH:34][cH:33]3)[cH:24][cH:23]2)=[O:9])[cH:10][cH:11]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 68303p-Chlorophenacyl bromideHCID 54562755HCID 54562755, compound

Product 2

HCID 259Bromide ionHCID 541898911-(4-Chlorophenyl)-2-[3-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)imidazol-1-ium-1-yl]ethanone

Sources & evidence

ORD record
ord-8b2f74c59ef64198a11bf07cf9df6c0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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