Acetonitrile → Bromide ion

HRID 126380Notes

Reaction equation

HRID 126380 reaction equation
[CH3:36][C:37]#[N:38].[O:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][CH2:33][CH2:34][Br:35].[c:1]1([C:7]2([C:14](=[O:15])[O:16][CH:17]3[CH2:18][N:19]4[CH2:20][CH2:21][CH:22]3[CH2:23][CH2:24]4)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Br-:35].[c:1]1([C:7]2([C:14](=[O:15])[O:16][CH:17]3[CH2:18][N+:19]4([CH2:34][CH2:33][CH2:32][O:25][c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[CH2:20][CH2:21][CH:22]3[CH2:23][CH2:24]4)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 68522Benzene, (3-bromopropoxy)-HCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Product 2

HCID 259Bromide ionHCID 67310457[1-(3-Phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-94e057937a1946f9a927044d04c8c3f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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