Hydrochloric Acid → 6-[4-({[3-{[(2,6-Dichlorophenyl)sulfinyl]methyl}-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid
Reaction equation
[CH3:51][OH:52].[Cl:1][c:2]1[c:3]([S:9](=[O:10])[CH2:11][c:12]2[n:13][o:14][c:15]([CH:40]([CH3:41])[CH3:42])[c:16]2[CH2:17][O:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[cH:26][c:27]4[cH:28][cH:29][c:30]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[n:31][c:32]4[cH:33][cH:34]3)[cH:23][cH:24]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[ClH:50].[Na+:49].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:48]>>[Cl:1][c:2]1[c:3]([S:9](=[O:10])[CH2:11][c:12]2[n:13][o:14][c:15]([CH:40]([CH3:41])[CH3:42])[c:16]2[CH2:17][O:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[cH:26][c:27]4[cH:28][cH:29][c:30]([C:35](=[O:36])[OH:37])[n:31][c:32]4[cH:33][cH:34]3)[cH:23][cH:24]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-84d9ef30f5f84398b2bb0431f63aadfd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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