Acetonitrile → Bromide ion

HRID 202825Notes

Reaction equation

HRID 202825 reaction equation
[Br:27][CH2:28][C:29](=[O:30])[c:31]1[cH:32][s:33][cH:34][cH:35]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]([C:10](=[O:11])[O:12][CH:13]1[CH2:14][N:15]2[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20]2)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][C:43]#[N:44]>>[Br-:27].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]([C:10](=[O:11])[O:12][CH:13]1[CH2:14][N+:15]2([CH2:28][C:29](=[O:30])[c:31]3[cH:32][s:33][cH:34][cH:35]3)[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20]2)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 27763792-Bromo-1-(thiophen-3-yl)ethan-1-oneHCID 671248521-Azabicyclo[2.2.2]octan-3-yl 2-(benzylamino)-2-phenylacetate

Product 2

HCID 259Bromide ionHCID 178521170[1-(2-oxo-2-thiophen-3-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(benzylamino)-2-phenylacetate

Sources & evidence

ORD record
ord-eaf72173ccea44f5b3b63dfa4074a744
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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