Acetonitrile → Bromide ion

HRID 208165Notes

Reaction equation

HRID 208165 reaction equation
[Br:26][CH2:27][C:28](=[O:29])[c:30]1[c:31]([OH:37])[cH:32][c:33]([F:36])[cH:34][cH:35]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][C:45]#[N:46].[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[c:31]([OH:37])[cH:32][c:33]([F:36])[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

6

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 269860714-Fluoro-2-hydroxyphenacyl bromideHCID 594012151-Azabicyclo[2.2.2]octan-3-yl 2-anilino-2-phenylacetate

Product 2

HCID 259Bromide ionHCID 76828768[1-[2-(4-Fluoro-2-hydroxyphenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate

Sources & evidence

ORD record
ord-151aa6c1da734972bda4e2885107bf4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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