Ethanol → 3-[4-[3-[4-(4-Benzoylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid

HRID 2130100

Reaction equation

HRID 2130100 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][cH:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]2)[CH2:13][CH2:14]1.[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[CH:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([CH:30]=[CH:31][C:32](=[O:33])[OH:34])[cH:35][cH:36]1.[K+:38].[OH-:37].[OH2:48]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][cH:17][c:18]([C:21]([CH:22]=[CH:24][c:26]3[cH:27][cH:28][c:29]([CH:30]=[CH:31][C:32](=[O:33])[OH:34])[cH:35][cH:36]3)=[O:23])[cH:19][cH:20]2)[CH2:13][CH2:14]1

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 980772-Propenoic acid, 3-(4-formylphenyl)-HCID 12451881-[4-(4-Benzoylpiperazin-1-yl)phenyl]ethanone

Product 1

HCID 670499163-[4-[3-[4-(4-Benzoylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid

Sources & evidence

ORD record
ord-619af8cdbb37462db4fa4c685119cfbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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