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

HRID 1230692Notes

Reaction equation

HRID 1230692 reaction equation
[Ag:51].[Br-:41].[Br:6][C:7]([CH3:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([C:16]([CH2:17][CH2:18][CH2:19][Cl:20])=[O:21])[cH:14][cH:15]1.[CH2:42]([N+:43]([CH2:44][CH3:45])([CH2:46][CH3:47])[CH2:48][CH3:49])[CH3:50].[CH3:38][C:39]#[N:40].[Cl:22][C:23]([c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[CH2:30][CH2:31][CH2:32][Cl:33])[cH:34][cH:35]1)([CH3:36])[CH3:37].[ClH:5].[Mg:1].[O:2]=[C:3]=[O:4]>>[O:2]=[C:3]([OH:4])[C:7]([CH3:8])([CH3:9])[c:10]1[cH:11][cH:12][c:13]([C:16]([CH2:17][CH2:18][CH2:19][Cl:20])=[O:21])[cH:14][cH:15]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 280Carbon DioxideHCID 313Hydrochloric AcidHCID 5413TetraethylammoniumHCID 6342AcetonitrileHCID 23954SilverHCID 5462224MagnesiumHCID 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-27674b58aa48434582e7bf3db165c60f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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