Ethylene Glycol → 3-[2-(5-bromo-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4-methyl-1H-pyrrol-3-yl]-propionic acid

HRID 87654Notes

Reaction equation

[C:1](=[O:2])([OH:3])[CH2:4][CH2:5][c:6]1[c:7]([CH3:26])[c:8]([C:23]([OH:24])=[O:25])[nH:9][c:10]1[CH:11]=[C:12]1[C:13](=[O:22])[NH:14][c:15]2[cH:16][cH:17][c:18]([Br:21])[cH:19][c:20]21.[ClH:30].[K+:28].[OH-:27].[OH2:29].[OH:31][CH2:32][CH2:33][OH:34]>>[C:1](=[O:2])([OH:3])[CH2:4][CH2:5][c:6]1[c:7]([CH3:26])[cH:8][nH:9][c:10]1[CH:11]=[C:12]1[C:13](=[O:22])[NH:14][c:15]2[cH:16][cH:17][c:18]([Br:21])[cH:19][c:20]21

Participants

Reactant 6

HCID 174Ethylene Glycol

HCID 313Hydrochloric Acid

HCID 813Potassium Cation

HCID 961Hydroxide

HCID 962Water

HCID 543778514-(2-carboxyethyl)-3-methyl-5-(5-bromo-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid

Product 1

HCID 697642703-[2-(5-bromo-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4-methyl-1H-pyrrol-3-yl]-propionic acid

Sources & evidence

ORD record: ord-74d25df81f39463d91ebf3ee29dfa01e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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