Acetonitrile → Bromide ion

HRID 149359Notes

Reaction equation

HRID 149359 reaction equation
[CH3:38][C:39]#[N:40].[F:25][C:26]([O:27][c:28]1[cH:29][c:30]([CH2:31][Br:32])[cH:33][cH:34][cH:35]1)([F:36])[F:37].[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-:32].[c:1]1([C:7]2([C:14](=[O:15])[O:16][CH:17]3[CH2:18][N+:19]4([CH2:31][c:30]5[cH:29][c:28]([O:27][C:26]([F:25])([F:36])[F:37])[cH:35][cH:34][cH:33]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 7371761-(Bromomethyl)-3-(trifluoromethoxy)benzeneHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Product 2

HCID 259Bromide ionHCID 178524671HCID 178524671, compound

Sources & evidence

ORD record
ord-e0908b93fd3c4df3ad8fce00893c897c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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