4-Chlorobenzenesulfonamide → 3-[1-(4-{2-[({[(4-chlorophenyl)sulfonyl]amino} carbonyl) amino]ethyl}phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]benzamide
Reaction equation
[Cl:35][c:36]1[cH:37][cH:38][c:39]([S:42](=[O:43])(=[O:44])[NH2:45])[cH:40][cH:41]1.[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6](-[c:10]2[c:11]([CH3:34])[n:12][n:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][CH2:23][NH:24][C:25]([O:26][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)=[O:33])[cH:20][cH:21]3)[c:14]2[CH3:15])[cH:7][cH:8][cH:9]1>>[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6](-[c:10]2[c:11]([CH3:34])[n:12][n:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:22][CH2:23][NH:24][C:25](=[O:33])[NH:45][S:42]([c:39]4[cH:38][cH:37][c:36]([Cl:35])[cH:41][cH:40]4)(=[O:43])=[O:44])[cH:20][cH:21]3)[c:14]2[CH3:15])[cH:7][cH:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-7ca64fe5341246d3abc5232991d2e6b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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