Water → 3-(2-(1-Benzothiophen-5-yl)ethoxy)propionic acid

HRID 2137307Notes

Reaction equation

HRID 2137307 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[OH2:22].[OH2:34].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1.[s:1]1[cH:2][cH:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH2:11][O:12][CH2:13][CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:9]2>>[s:1]1[cH:2][cH:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH2:11][O:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[cH:9]2

Participants

6

Reactant 5

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 21990043HCID 21990043, compound

Product 1

HCID 219900803-(2-(1-Benzothiophen-5-yl)ethoxy)propionic acid

Sources & evidence

ORD record
ord-226acad96fad4e7ca0543f1e75fdde3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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