Acetonitrile → Bromide ion

HRID 1241140Notes

Reaction equation

HRID 1241140 reaction equation
[Br:24][CH2:25][C:26](=[O:27])[NH:28][c:29]1[n:30][o:31][c:32]([CH3:34])[cH:33]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][CH2:42][CH2:43][CH:44]([CH3:45])[CH3:46].[CH3:47][C:48]#[N:49].[N:1]12[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[s:20][cH:21][cH:22][cH:23]4)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Br-:24].[N+:1]12([CH2:25][C:26](=[O:27])[NH:28][c:29]3[n:30][o:31][c:32]([CH3:34])[cH:33]3)[CH2:2][CH:3]([O:9][C:10](=[O:11])[C:12]3([c:19]4[s:20][cH:21][cH:22][cH:23]4)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

7

Reactant 5

HCID 6342AcetonitrileHCID 78922-MethylpentaneHCID 8857Ethyl AcetateHCID 64850652-Bromo-N-(5-methyl-isoxazol-3-yl)-acetamideHCID 66886760HCID 66886760, compound

Product 2

HCID 259Bromide ionHCID 75039530[1-[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-thiophen-2-ylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-6583cb23cac94c80bf8222af1b71ee4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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