Hydrochloric Acid → 3-[4-(2-butoxy-3,5-diisopropyl-phenyl)-1H-indol-2-yl]-but-2-enoic acid
Reaction equation
[CH3:45][CH2:46][OH:47].[ClH:44].[K+:43].[OH-:42].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[c:11]([C:36](=[CH:37][C:38](=[O:39])[OH:40])[CH3:41])[cH:12][c:13]3[c:14](-[c:19]4[c:20]([O:31][CH2:32][CH2:33][CH2:34][CH3:35])[c:21]([CH:28]([CH3:29])[CH3:30])[cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]4)[cH:15][cH:16][cH:17][c:18]23)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[c:11]([C:36](=[CH:37][C:38](=[O:39])[OH:40])[CH3:41])[cH:12][c:13]2[c:14](-[c:19]3[c:20]([O:31][CH2:32][CH2:33][CH2:34][CH3:35])[c:21]([CH:28]([CH3:29])[CH3:30])[cH:22][c:23]([CH:25]([CH3:26])[CH3:27])[cH:24]3)[cH:15][cH:16][cH:17][c:18]12Participants
6
Sources & evidence
- ORD record
- ord-d6e5c06b6ada4705aee51bb69165b421
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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