Bromide ion → 2-(4-(4-Chlorobutanoyl)phenyl)-2-methylpropanoic acid

HRID 1137148Notes

Reaction equation

HRID 1137148 reaction equation
[Ag:47].[Br-:37].[Br:5][C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([C:15]([CH2:16][CH2:17][CH2:18][Cl:19])=[O:20])[cH:13][cH:14]1.[CH2:38]([N+:39]([CH2:40][CH3:41])([CH2:42][CH3:43])[CH2:44][CH3:45])[CH3:46].[CH3:48][C:49]#[N:50].[Cl:21][C:22]([c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[CH2:29][CH2:30][CH2:31][Cl:32])[cH:33][cH:34]1)([CH3:35])[CH3:36].[ClH:4].[O:1]=[C:2]=[O:3]>>[O:1]=[C:2]([OH:3])[C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([C:15]([CH2:16][CH2:17][CH2:18][Cl:19])=[O:20])[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 280Carbon DioxideHCID 313Hydrochloric AcidHCID 5413TetraethylammoniumHCID 6342AcetonitrileHCID 23954SilverHCID 100635791-Butanone, 1-[4-(1-bromo-1-methylethyl)phenyl]-4-chloro-HCID 234998621-[4-(1-Chloro-1-methyl-ethyl)-phenyl)-4-chloro-butan-1-one

Product 1

HCID 109235672-(4-(4-Chlorobutanoyl)phenyl)-2-methylpropanoic acid

Sources & evidence

ORD record
ord-1fb43b8baa3d42b8bd133639b34aab1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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