2-Butenedioic acid → (-)-1,4-dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylic acid [2-(N-methyl-N-phenylmethylamino)ethyl]ester
Reaction equation
[CH2:13]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:22]1)[O:20][C:21](=[O:14])[C:23]1=[C:24]([CH3:47])[NH:25][c:26]2[cH:27][cH:28][n:29][c:30]([O:43][CH:44]([CH3:45])[CH3:46])[c:31]2[CH:32]1[c:33]1[c:34]([C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37][cH:38]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:10][CH2:11][OH:12].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[OH:48][C:49]([CH:50]=[CH:51][C:52](=[O:53])[OH:54])=[O:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH3:9])[CH2:10][CH2:11][O:12][C:21](=[O:20])[C:23]1=[C:24]([CH3:47])[NH:25][c:26]2[cH:27][cH:28][n:29][c:30]([O:43][CH:44]([CH3:45])[CH3:46])[c:31]2[CH:32]1[c:33]1[c:34]([C:39]([F:40])([F:41])[F:42])[cH:35][cH:36][cH:37][cH:38]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-869c804b84f04006a965fbb33e349acc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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