Ethyl Acetate → Bromide ion

HRID 2161430Notes

Reaction equation

HRID 2161430 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][s:7][cH:8][cH:9]1.[CH3:10][N:11]1[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[O:19][CH:20]([c:21]2[cH:22][c:23]([F:27])[cH:24][cH:25][cH:26]2)[c:28]2[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]2)[CH2:15][CH2:16]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40]>>[Br-:1].[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][s:7][cH:8][cH:9]1)[N+:11]1([CH3:10])[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[O:19][CH:20]([c:21]2[cH:22][c:23]([F:27])[cH:24][cH:25][cH:26]2)[c:28]2[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]2)[CH2:15][CH2:16]1

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 27763792-Bromo-1-(thiophen-3-yl)ethan-1-oneHCID 70925814Bis(3-fluorophenyl)methyl 1-methylpiperidine-4-carboxylate

Product 2

HCID 259Bromide ionHCID 86672951Bis(3-fluorophenyl)methyl 1-methyl-1-(2-oxo-2-thiophen-3-ylethyl)piperidin-1-ium-4-carboxylate

Sources & evidence

ORD record
ord-4b7ec5124e754ef09fc4887a6dec763e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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