Acetonitrile → Bromide ion

HRID 1228762Notes

Reaction equation

HRID 1228762 reaction equation
[Br:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[C:1]([CH3:2])(=[O:3])[N:4]([C:5]([c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:10][cH:11]1)=[O:27])[CH2:28][c:29]1[n:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:43][C:44]#[N:45]>>[Br-:35].[C:1]([CH3:2])(=[O:3])[N:4]([C:5]([c:6]1[cH:7][cH:8][c:9]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:10][cH:11]1)=[O:27])[CH2:28][c:29]1[n+:30]([CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:31][cH:32][cH:33][cH:34]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 7498Benzyl BromideHCID 11754296N-Acetyl-N-(2-pyridinylmethyl)-4-(tetradecyloxy)benzamide

Product 2

HCID 259Bromide ionHCID 104617662-{[Acetyl-(4-tetradecyloxy-benzoyl)-amino]-methyl}-1-benzyl-pyridinium; bromide

Sources & evidence

ORD record
ord-09cfc555caff4e21b14a35f4d6d23ee8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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