Citric Acid → 5-[1-(4-fluorophenyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinoline-6-carbonyl]thiophene-2-carboxylic acid
Reaction equation
[CH3:49][OH:50].[ClH:35].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][n:11]3[c:20]2[CH:19]=[C:18]2[C:13]([CH3:32])([CH2:12]3)[CH:14]([C:21](=[O:22])[c:23]3[cH:24][cH:25][c:26]([C:28](=[O:29])[O:30][CH3:31])[s:27]3)[CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1.[Na+:34].[OH-:33].[OH2:51].[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][n:11]3[c:20]2[CH:19]=[C:18]2[C:13]([CH3:32])([CH2:12]3)[CH:14]([C:21](=[O:22])[c:23]3[cH:24][cH:25][c:26]([C:28](=[O:29])[OH:30])[s:27]3)[CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-a817f5fcfa834f3899278b555c4c7c2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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