Ethanol → 3-{3-[4-(2-Carboxy-ethyl)-3-methyl-1H-pyrrol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-propionic acid

HRID 105520

Reaction equation

HRID 105520 reaction equation
[C:14](=[O:15])([OH:16])[CH2:17][CH2:18][c:19]1[cH:20][c:21]2[c:25]([cH:26][cH:27]1)[NH:24][C:23](=[O:28])[CH2:22]2.[C:1](=[O:2])([OH:3])[CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[c:8]([CH:11]=[O:12])[nH:9][cH:10]1.[CH2:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:35][CH2:36][OH:37]>>[C:1](=[O:2])([OH:3])[CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[c:8]([CH:11]=[C:22]2[c:21]3[cH:20][c:19]([CH2:18][CH2:17][C:14](=[O:15])[OH:16])[cH:27][cH:26][c:25]3[NH:24][C:23]2=[O:28])[nH:9][cH:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 151607523-(5-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acidHCID 219257025-(2-Carboxyethyl)-2-oxindole

Product 1

HCID 690343773-{3-[4-(2-Carboxy-ethyl)-3-methyl-1H-pyrrol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-propionic acid

Sources & evidence

ORD record
ord-c6b5af6f16ff4fd5b5b17ee7f1b85693
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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