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Hydroxide → 3-(4-{4-[2-Dimethylcarbamoyl-2-(toluene-4-sulfonylamino)-ethyl]-phenoxy}-phenyl)-propionic acid

HRID 88930
Notes
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Reaction equation

HRID 88930 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH:20]([NH:21][S:22](=[O:23])(=[O:24])[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[C:32]([N:33]([CH3:34])[CH3:35])=[O:36])[cH:17][cH:18]2)[cH:10][cH:11]1)=[O:37].[Li+:38].[OH-:39].[OH2:45]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH:20]([NH:21][S:22](=[O:23])(=[O:24])[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[C:32]([N:33]([CH3:34])[CH3:35])=[O:36])[cH:17][cH:18]2)[cH:10][cH:11]1)[OH:37]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 691137573-(4-{4-[2-Dimethylcarbamoyl-2-(toluene-4-sulfonylamino)-ethyl]-phenoxy}-phenyl)-propionic acid methyl ester

Product 1

HCID 15982578
3-(4-{4-[2-Dimethylcarbamoyl-2-(toluene-4-sulfonylamino)-ethyl]-phenoxy}-phenyl)-propionic acid

Sources & evidence

ORD record
ord-e6a190afe5284deb9499300f13750f0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes