Hydrochloric Acid → {4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-methanesulfonyl-phenylethynyl)phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:42])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([O:32][CH2:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[cH:17][c:18]([C:20]#[C:21][c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[cH:19]2)[cH:11][cH:12]1)=[O:43].[CH3:47][CH2:48][OH:49].[ClH:46].[Na+:45].[OH-:44]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:42])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([O:32][CH2:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[cH:17][c:18]([C:20]#[C:21][c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[cH:19]2)[cH:11][cH:12]1)[OH:43]Participants
6
Sources & evidence
- ORD record
- ord-99b557b0ed9e4f7d8077eec318bb9e10
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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