Sodium ion → 1-Isopropylsulfonyl-2-amino-6-(3-(methyl)-1-(phenyl)-pyrazol-5-yl)-benzimidazole
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:13])[n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[CH:14]([CH3:15])([CH3:16])[S:17](=[O:18])(=[O:19])[n:20]1[c:21]([NH2:32])[n:22][c:23]2[c:24]1[cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]2.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:45]>>[c:2]1(-[c:26]2[cH:25][c:24]3[n:20]([S:17]([CH:14]([CH3:15])[CH3:16])(=[O:18])=[O:19])[c:21]([NH2:32])[n:22][c:23]3[cH:28][cH:27]2)[cH:3][c:4]([CH3:13])[n:5][n:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1Participants
7
Sources & evidence
- ORD record
- ord-a8dd7ed1ff9f461eaeba41443d60b1fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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