Acetonitrile → Bromide ion

HRID 1129879Notes

Reaction equation

HRID 1129879 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][C:45]#[N:46].[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][CH2:4][O: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

6

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 10879224HCID 10879224, compoundHCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Product 2

HCID 259Bromide ionHCID 67310761HCID 67310761, compound

Sources & evidence

ORD record
ord-0487896acdfe4ad9bb92ec9fff463941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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