Potassium Cation → 2-[4-[2-[(4-Chlorophenyl)sulfonylamino]pentanethioylamino]phenyl]acetic acid

HRID 1231195Notes

Reaction equation

HRID 1231195 reaction equation
[CH3:38][OH:39].[Cl:7][c:8]1[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[NH:17][CH:18]([C:19](=[S:20])[NH:21][c:22]2[cH:23][cH:24][c:25]([CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:26][cH:27]2)[CH2:34][CH2:35][CH3:36])[cH:12][cH:13]1.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[OH2:37]>>[Cl:7][c:8]1[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[NH:17][CH:18]([C:19](=[S:20])[NH:21][c:22]2[cH:23][cH:24][c:25]([CH2:28][C:29](=[O:30])[OH:31])[cH:26][cH:27]2)[CH2:34][CH2:35][CH3:36])[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 54388404(RS)-2-(4-chlorobenzenesulfonylamino)-N-(4-(ethoxycarbonylmethyl)phenyl)-4-methylthiobutanamide

Product 1

HCID 540760272-[4-[2-[(4-Chlorophenyl)sulfonylamino]pentanethioylamino]phenyl]acetic acid

Sources & evidence

ORD record
ord-06c8dfda57514ccb962cfc7524894561
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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