Ethyl Acetate → Bromide ion

HRID 694667Notes

Reaction equation

HRID 694667 reaction equation
[Br:26][CH2:27][C:28](=[O:29])[c:30]1[s:31][cH:32][cH:33][n:34]1.[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([C:8](=[O:9])[O:10][CH:11]([c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[c:19]2[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]2)[CH2:6][CH2:7]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40]>>[Br-:26].[CH3:1][N+:2]1([CH2:27][C:28](=[O:29])[c:30]2[s:31][cH:32][cH:33][n:34]2)[CH2:3][CH2:4][CH:5]([C:8](=[O:9])[O:10][CH:11]([c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[c:19]2[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]2)[CH2:6][CH2:7]1

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 27952122-Bromo-1-(1,3-thiazol-2-yl)ethan-1-oneHCID 70925814Bis(3-fluorophenyl)methyl 1-methylpiperidine-4-carboxylate

Product 2

HCID 259Bromide ionHCID 86672953Bis(3-fluorophenyl)methyl 1-methyl-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperidin-1-ium-4-carboxylate

Sources & evidence

ORD record
ord-8a9cbb8a2dae4704923c26a0a7fe6200
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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