Ethanol → 2-[3-[3-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]cyclohexyl]phenoxy]acetic acid
Reaction equation
[CH3:62][CH2:63][OH:64].[Cl:1][c:2]1[cH:3][c:4]([CH:5]([OH:6])[CH2:7][NH:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[O:20][CH2:21][C:22]([O-:23])=[O:24])[CH2:25]2)[cH:26][cH:27][cH:28]1.[Cl:30][c:31]1[cH:32][c:33]([CH:37]([CH2:38][NH:39][CH:40]2[CH2:41][CH:42]([c:46]3[cH:47][c:48]([O:52][CH2:53][C:54](=[O:55])[O:56][CH2:57][CH3:58])[cH:49][cH:50][cH:51]3)[CH2:43][CH2:44][CH2:45]2)[OH:59])[cH:34][cH:35][cH:36]1.[Na+:29].[Na+:61].[OH-:60]>>[Cl:30][c:31]1[cH:32][c:33]([CH:37]([CH2:38][NH:39][CH:40]2[CH2:41][CH:42]([c:46]3[cH:47][c:48]([O:52][CH2:53][C:54](=[O:55])[OH:56])[cH:49][cH:50][cH:51]3)[CH2:43][CH2:44][CH2:45]2)[OH:59])[cH:34][cH:35][cH:36]1Participants
6
Sources & evidence
- ORD record
- ord-7ffda8b88ee943e5a436dd177c249ee1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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