Acetonitrile → Bromide ion

HRID 193186

Reaction equation

HRID 193186 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]([N:9]([C:10]([CH3:11])=[O:12])[CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:18][cH:19]2)[cH:6][cH:7][cH:8]1.[CH3:43][C:44]#[N:45].[n:35]1[cH:36][c:37]([CH3:42])[c:38]([CH3:41])[cH:39][cH:40]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][c:5]([N:9]([C:10]([CH3:11])=[O:12])[CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:18][cH:19]2)[cH:6][cH:7][cH:8]1)[n+:35]1[cH:36][c:37]([CH3:42])[c:38]([CH3:41])[cH:39][cH:40]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 114173,4-DimethylpyridineHCID 10414650N-[3-(bromomethyl)phenyl]-N-[[4-(tetradecyloxy)phenyl]methyl]acetamide

Product 2

HCID 259Bromide ionHCID 15030141N-[3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide

Sources & evidence

ORD record
ord-9f0a5852c1154dc88e64b64475fa2302
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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