Acetonitrile → Bromide ion

HRID 118670Notes

Reaction equation

HRID 118670 reaction equation
[Br:1][CH2:2][CH2:3][c:4]1[n:5][cH:6][cH:7][n:8][cH:9]1.[CH3:34][C:35]#[N:36].[N:10]12[CH2:11][CH:12]([O:18][C:19](=[O:20])[C:21]3([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[CH:13]([CH2:14][CH2:15]1)[CH2:16][CH2:17]2>>[Br-:1].[CH2:2]([CH2:3][c:4]1[n:5][cH:6][cH:7][n:8][cH:9]1)[N+:10]12[CH2:11][CH:12]([O:18][C:19](=[O:20])[C:21]3([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[CH:13]([CH2:14][CH2:15]1)[CH2:16][CH2:17]2

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 583484082-(2-Bromoethyl)pyrazineHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Product 2

HCID 259Bromide ionHCID 67310236[1-(2-Pyrazin-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-a372b581e14f46bea6eb7267696f97a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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