Acetonitrile → Bromide ion

HRID 202162Notes

Reaction equation

HRID 202162 reaction equation
[Br:26][CH2:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([NH:36][C:37]([CH3:38])=[O:39])[cH:34][cH:35]1.[CH3:40][C:41]#[N:42].[c:1]1([CH:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][N:13]3[CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18]3)[NH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Br-:26].[c:1]1([CH:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][N+:13]3([CH2:27][C:28](=[O:29])[c:30]4[cH:31][cH:32][c:33]([NH:36][C:37]([CH3:38])=[O:39])[cH:34][cH:35]4)[CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18]3)[NH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 12364739N-[4-(2-Bromoacetyl)Phenyl]AcetamideHCID 594012151-Azabicyclo[2.2.2]octan-3-yl 2-anilino-2-phenylacetate

Product 2

HCID 259Bromide ionHCID 178474215[1-[2-(4-acetamidophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate

Sources & evidence

ORD record
ord-d865dcb84a2945819b8b21a1f7c012db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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