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Sodium Ion → 3-(5-Chloropyridin-2-yl)-5-(1-hydroxy-1-methylethyl)benzoic acid

HRID 111516
Notes
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Reaction equation

HRID 111516 reaction equation
[CH3:20][S:21]([OH:22])(=[O:23])=[O:24].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([C:17](=[CH2:18])[CH3:19])[cH:16]2)[n:6][cH:7]1.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([C:17]([CH3:18])([CH3:19])[OH:22])[cH:16]2)[n:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 923Sodium Ion2×HCID 962WaterHCID 6395Methanesulfonic AcidHCID 19660Carbonate IonHCID 685013473-(5-Chloropyridin-2-yl)-5-isopropenylbenzoic acid

Product 1

HCID 685003033-(5-Chloropyridin-2-yl)-5-(1-hydroxy-1-methylethyl)benzoic acid

Sources & evidence

ORD record
ord-7793ecfd4c514bd48d5f915a21a28d18
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