Ethylene Glycol → 2-[(2-Oxo-2,3-dihydro-1H-indol-6-yl)sulfanyl]benzoic acid

HRID 2345406Notes

Reaction equation

HRID 2345406 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[CH3:42][CH:43]([OH:44])[CH3:45].[ClH:32].[Cu:40][I:41].[I:7][c:8]1[cH:9][cH:10][c:11]2[c:15]([cH:16]1)[NH:14][C:13](=[O:17])[CH2:12]2.[K+:5].[K+:6].[OH2:39].[OH:28][CH2:29][CH2:30][OH:31].[SH:18][c:19]1[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26][cH:27]1>>[c:8]1([S:18][c:19]2[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10][c:11]2[c:15]([cH:16]1)[NH:14][C:13](=[O:17])[CH2:12]2

Participants

11

Reactant 10

HCID 174Ethylene GlycolHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 3776IsopropanolHCID 54432-Mercaptobenzoic AcidHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 534188196-Iodo-2-oxindole

Product 1

HCID 587957452-[(2-Oxo-2,3-dihydro-1H-indol-6-yl)sulfanyl]benzoic acid

Sources & evidence

ORD record
ord-673cfa8de34b41cabad28a7b51e17daf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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