Sodium ion → 3'-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-biphenyl-3-sulfonic acid
Reaction equation
[CH2:42]([O-:43])[CH2:44][CH3:45].[CH2:47]([N:48]([CH2:49][CH3:50])[CH2:51][CH2:52][SH:53])[CH3:54].[CH3:1][C:2]([CH3:3])([CH3:40])[CH2:41][O:4][S:5](=[O:6])(=[O:7])[c:8]1[cH:9][c:10](-[c:14]2[cH:15][c:16](-[c:20]3[n:21][c:22](-[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]3)[cH:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1.[Na+:46].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[O:4]=[S:5](=[O:6])([OH:7])[c:8]1[cH:9][c:10](-[c:14]2[cH:15][c:16](-[c:20]3[n:21][c:22](-[c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]3)[cH:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-c0d5be7b32f1431dae0a5bd7e174b456
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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