Citric Acid → 4-(1-methyl-1H-pyrrol-2-yl)-2-(5-phenylpyridine-3-carboxamido)benzoic acid
Reaction equation
[CH3:1][OH:2].[CH3:5][n:6]1[c:7](-[c:11]2[cH:12][c:13]([NH:24][C:25](=[O:26])[c:27]3[cH:28][n:29][cH:30][c:31](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:32]3)[c:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22][cH:23]2)[cH:8][cH:9][cH:10]1.[Na+:4].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH-:3].[OH:39][C:40]([CH2:41][C:42]([C:43](=[O:44])[OH:45])([CH2:46][C:47](=[O:48])[OH:49])[OH:50])=[O:51]>>[CH3:5][n:6]1[c:7](-[c:11]2[cH:12][c:13]([NH:24][C:25](=[O:26])[c:27]3[cH:28][n:29][cH:30][c:31](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:32]3)[c:14]([C:15](=[O:16])[OH:17])[cH:22][cH:23]2)[cH:8][cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-83b88f47c6554ebeaac0c3e7029a858c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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