Ethanol → 3-{3-[(5-Benzoyl-furan-2-carbonyl)-amino]-phenyl}-acrylic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[cH:8][c:9]([NH:13][C:14](=[O:15])[c:16]2[o:17][c:18]([C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[cH:19][cH:20]2)[cH:10][cH:11][cH:12]1)=[O:29].[CH3:32][CH2:33][OH:34].[Na+:31].[OH-:30]>>[O:3]=[C:4]([CH:5]=[CH:6][c:7]1[cH:8][c:9]([NH:13][C:14](=[O:15])[c:16]2[o:17][c:18]([C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[cH:19][cH:20]2)[cH:10][cH:11][cH:12]1)[OH:29]Participants
5
Sources & evidence
- ORD record
- ord-b3fe009d871a4e6cb8f5637cc5f26a12
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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