Calcium Cation → Methyl 2-{[2-(4-fluorophenyl)-1-oxidoquinolin-6-yl]sulfonyl}benzoate
Reaction equation
[Ca+2:43].[Cl:45][CH2:46][Cl:47].[F:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[n:20][c:21]3[cH:22][cH:23][c:24]([S:29](=[O:30])(=[O:31])[c:32]4[c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39][cH:40][cH:41]4)[cH:25][c:26]3[cH:27][cH:28]2)[cH:17][cH:18]1.[OH-:42].[OH-:44].[OH:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][cH:10]1)=[O:11]>>[O-:1][n+:20]1[c:19](-[c:16]2[cH:15][cH:14][c:13]([F:12])[cH:18][cH:17]2)[cH:28][cH:27][c:26]2[c:21]1[cH:22][cH:23][c:24]([S:29](=[O:30])(=[O:31])[c:32]1[c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39][cH:40][cH:41]1)[cH:25]2Participants
6
Sources & evidence
- ORD record
- ord-9331542410074c15991dfdfebdd4c325
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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