Acetonitrile → Bromide ion

HRID 185994Notes

Reaction equation

HRID 185994 reaction equation
[Br:1][CH2:2][CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1.[CH3:38][C:39]#[N:40].[N:14]12[CH2:15][CH:16]([O:22][C:23](=[O:24])[C:25]3([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH:17]([CH2:18][CH2:19]1)[CH2:20][CH2:21]2>>[Br-:1].[CH2:2]([CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1)[N+:14]12[CH2:15][CH:16]([O:22][C:23](=[O:24])[C:25]3([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[CH:17]([CH2:18][CH2:19]1)[CH2:20][CH2:21]2

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylateHCID 67027645HCID 67027645, compound

Product 2

HCID 259Bromide ionHCID 67311815[1-[2-[(4-Cyanophenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-b4a51212cc1c4d51acc0ab56075ebe43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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