2-Pyrazinecarboxylic acid → 3,3-Dimethyl-2-{3-[(pyrazine-2-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
Reaction equation
[C:10]([n:11]1[cH:12][cH:13][n:14][cH:15]1)([n:16]1[cH:17][cH:18][n:19][cH:20]1)=[O:21].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[NH2:22][c:23]1[cH:24][c:25]([CH:29]2[NH:30][c:31]3[cH:32][cH:33][c:34]([C:41](=[O:42])[OH:43])[cH:35][c:36]3[CH2:37][C:38]2([CH3:39])[CH3:40])[cH:26][cH:27][cH:28]1.[n:1]1[c:2]([C:7](=[O:8])[OH:9])[cH:3][n:4][cH:5][cH:6]1>>[n:1]1[c:2]([C:7](=[O:9])[NH:22][c:23]2[cH:24][c:25]([CH:29]3[NH:30][c:31]4[cH:32][cH:33][c:34]([C:41](=[O:42])[OH:43])[cH:35][c:36]4[CH2:37][C:38]3([CH3:39])[CH3:40])[cH:26][cH:27][cH:28]2)[cH:3][n:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-132e44bb7ea748d88748154a75d324d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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