Sodium ion → 3-{2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-benzimidazole-1-sulfonyl}benzoic Acid 2-(3-nitro-benzenesulfonyl)ethyl Ester
Reaction equation
[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([nH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[Cl:60][CH2:61][Cl:62].[H-:27].[N+:33](=[O:34])([O-:35])[c:36]1[cH:37][c:38]([S:42](=[O:43])(=[O:44])[CH2:45][CH2:46][O:47][C:48]([c:49]2[cH:50][c:51]([S:55](=[O:56])(=[O:57])[Cl:58])[cH:52][cH:53][cH:54]2)=[O:59])[cH:39][cH:40][cH:41]1.[Na+:26].[OH2:63].[S:28]([Cl:29])([Cl:30])(=[O:31])=[O:32]>>[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([n:21]2[S:55]([c:51]2[cH:50][c:49]([C:48]([O:47][CH2:46][CH2:45][S:42]([c:38]4[cH:37][c:36]([N+:33](=[O:34])[O-:35])[cH:41][cH:40][cH:39]4)(=[O:43])=[O:44])=[O:59])[cH:54][cH:53][cH:52]2)(=[O:56])=[O:57])[cH:22][cH:23][cH:24][cH:25]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-4692a92919dc4048af6d97d1b4abb07d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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