Ethanol → 5-{3-[4-(2-Diethylaminoethylcarbamoyl)-3,5-dimethyl-1H-pyrrol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indol-4-yl}-nicotinic Acid
Reaction equation
[CH2:20]([CH3:21])[N:22]([CH2:23][CH2:24][NH:25][C:26](=[O:27])[c:28]1[c:29]([CH3:36])[nH:30][c:31]([CH:34]=[O:35])[c:32]1[CH3:33])[CH2:37][CH3:38].[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19]3)[c:9]2[CH2:10]1>>[O:1]=[C:2]1[NH:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:11]3[cH:12][n:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19]3)[c:9]2[C:10]1=[CH:34][c:31]1[nH:30][c:29]([CH3:36])[c:28]([C:26]([NH:25][CH2:24][CH2:23][N:22]([CH2:20][CH3:21])[CH2:37][CH3:38])=[O:27])[c:32]1[CH3:33]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-47c32531a208479f8420e11bbd706a1d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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