Hydrochloric Acid → 2-(2-Chlorophenyl)propanoic acid

HRID 1127392Notes

Reaction equation

HRID 1127392 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:13][CH:14]([N-:15][CH:16]([CH3:17])[CH3:18])[CH3:19].[CH3:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[CH3:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][I:36].[CH3:44][N:45]([CH3:46])[P:47]([N:48]([CH3:49])[CH3:50])([N:51]([CH3:52])[CH3:53])=[O:54].[Cl:1][c:2]1[c:3]([CH2:8][C:9](=[O:10])[OH:11])[cH:4][cH:5][cH:6][cH:7]1.[ClH:37].[Li+:12].[OH2:38]>>[Cl:1][c:2]1[c:3]([CH:8]([C:9](=[O:10])[OH:11])[CH3:13])[cH:4][cH:5][cH:6][cH:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6328Methyl iodideHCID 7500EthylbenzeneHCID 8028TetrahydrofuranHCID 8900HeptaneHCID 12679HexamethylphosphoramideHCID 17124o-Chlorophenylacetic acidHCID 28486Lithium ionHCID 5062348Diisopropylamide

Product 1

HCID 126365742-(2-Chlorophenyl)propanoic acid

Sources & evidence

ORD record
ord-6e337532d62e42bd93ab9923a5461adc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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