Ethanol → 2-[2-[3-(Carboxymethyl)-2,2-dimethyl-cyclobutyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[c:7](-[c:8]2[n:9][c:10]3[cH:11][cH:12][c:13](-[c:18]4[n:19][c:20]5[c:21]([n:22]4[CH:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[cH:32]5)[cH:14][c:15]3[cH:16][cH:17]2)[cH:36]1.[C:37](=[O:38])([CH3:39])[CH:40]1[C:41]([CH3:48])([CH3:49])[CH:42]([CH2:44][C:45](=[O:46])[OH:47])[CH2:43]1.[CH3:52][CH2:53][OH:54].[K+:51].[OH-:50]>>[c:8]1([CH:40]2[C:41]([CH3:48])([CH3:49])[CH:42]([CH2:44][C:45](=[O:46])[OH:47])[CH2:43]2)[n:9][c:10]2[cH:11][cH:12][c:13](-[c:18]3[n:19][c:20]4[c:21]([n:22]3[CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[cH:32]4)[cH:14][c:15]2[cH:16][cH:17]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-b768fd7fbac04a70a43643ef7ce28344
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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