Ammonia → 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-4-fluorobenzothiazole-6-sulfonic acid amide
Reaction equation
[CH3:40][CH2:41][OH:42].[F:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[c:28]1[n:29][c:30](-[c:32]1[c:33]([NH2:38])[nH:34][n:35][c:36]1[CH3:37])[s:31]2.[NH2:1][c:2]1[nH:3][n:4][c:5]([CH3:6])[c:7]1-[c:8]1[s:9][c:10]2[c:11]([S:17]([Cl:12])(=[O:18])=[O:19])[cH:13][cH:14][c:15]([F:16])[c:20]2[n:21]1.[NH3:39]>>[S:17](=[O:18])(=[O:19])([c:25]1[cH:24][c:23]([F:22])[c:28]2[c:27]([cH:26]1)[s:31][c:30](-[c:32]1[c:33]([NH2:38])[nH:34][n:35][c:36]1[CH3:37])[n:29]2)[NH2:39]Participants
5
Sources & evidence
- ORD record
- ord-527c953456ad4f249d4cdb93c666e88e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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