Hydrochloric Acid → {4-[3-(4-Methanesulfonyl-phenylethynyl)-5-(5-trifluoromethyl-pyridin-2-yloxy)-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]([CH3:43])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:31]#[C:32][c:33]3[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]3)[cH:17][c:18]([O:20][c:21]3[n:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:19]2)[cH:11][cH:12]1)=[O:44].[CH3:48][CH2:49][OH:50].[ClH:47].[Na+:46].[OH-:45]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:43])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:31]#[C:32][c:33]3[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]3)[cH:17][c:18]([O:20][c:21]3[n:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[cH:19]2)[cH:11][cH:12]1)[OH:44]Participants
6
Sources & evidence
- ORD record
- ord-51c3959a1eab4c54a3bfa8ff2454ce37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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