Sodium ion → 2-[4-[2-(2-Benzothiazolyl)vinyl]benzoylamino]-4-[3-(4-chlorophenylsulfonyl)propyl]phenoxyacetic acid
Reaction equation
[Na+:2].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:1].[s:3]1[c:4]([CH:12]=[CH:13][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]3[c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31][c:32]([CH2:34][CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[c:40]4[cH:41][cH:42][c:43]([Cl:46])[cH:44][cH:45]4)[cH:33]3)[cH:47][cH:48]2)[n:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2>>[s:3]1[c:4]([CH:12]=[CH:13][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]3[c:22]([O:23][CH2:24][C:25](=[O:26])[OH:27])[cH:30][cH:31][c:32]([CH2:34][CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[c:40]4[cH:41][cH:42][c:43]([Cl:46])[cH:44][cH:45]4)[cH:33]3)[cH:47][cH:48]2)[n:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2Participants
5
Sources & evidence
- ORD record
- ord-ae21ae2d5dc3459eb0836700e5252c6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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