Hydrochloric Acid → (4'-{1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)-hydroxy-acetic Acid
Reaction equation
[CH3:3][O:4][C:5]([CH:6]([OH:7])[c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([CH3:40])[cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH2:29][CH2:30][CH:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:41].[CH3:43][OH:44].[ClH:42].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH:6]([OH:7])[c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([CH3:40])[cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH2:29][CH2:30][CH:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[cH:12][cH:13]1)[OH:41]Participants
6
Sources & evidence
- ORD record
- ord-cd141b4f3bf3433080a07a0435a3af28
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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