Acetic Acid → Bromide ion

HRID 93518Notes

Reaction equation

HRID 93518 reaction equation
[Br-:12].[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10]1)[CH3:11].[CH3:34][C:35](=[O:36])[OH:37].[NH2:13][n+:14]1[c:15](-[c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[n:16]([CH2:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18]1>>[Br-:12].[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([CH:7]=[N:13][n+:14]2[c:15](-[c:26]3[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]3)[n:16]([CH2:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:17][cH:18]2)[cH:9][cH:10]1)[CH3:11]

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 259Bromide ionHCID 74794-(Dimethylamino)BenzaldehydeHCID 178488976HCID 178488976, compound

Product 2

HCID 259Bromide ionHCID 1784889801-[3-[[4-(Dimethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)imidazol-1-ium-1-yl]-3,3-dimethylbutan-2-one

Sources & evidence

ORD record
ord-0759d4ba1a0c4c44b9ed05e5f6e2a588
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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