Water → Methyl 2-oxo-3-phenylpropanoate

HRID 2162317Notes

Reaction equation

HRID 2162317 reaction equation
[CH3:34][c:35]1[c:36]([CH3:37])[cH:38][cH:39][cH:40][cH:41]1.[OH2:6].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5].[c:18]1([CH2:24][C:25]([C:26](=[O:27])[O:28][CH2:29][CH2:30][CH2:31][CH3:32])=[O:33])[cH:19][cH:20][cH:21][cH:22][cH:23]1.[c:7]1([CH3:8])[cH:9][cH:10][c:11]([S:12]([OH:13])(=[O:14])=[O:15])[cH:16][cH:17]1>>[c:18]1([CH2:24][C:25]([C:26](=[O:27])[O:28][CH3:29])=[O:33])[cH:19][cH:20][cH:21][cH:22][cH:23]1

Participants

6

Reactant 5

HCID 962WaterHCID 1118Sulfuric AcidHCID 6101p-Toluenesulfonic acidHCID 7237O-XyleneHCID 18979724Butyl phenylpyruvate

Product 1

HCID 562359Methyl 2-oxo-3-phenylpropanoate

Sources & evidence

ORD record
ord-1ef55913ce644941a7c605fe05ec71ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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