Water → 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{6-[4-(3-methyl-pentanoyl)-piperazin-1-yl]-pyridin-3-yl}-urea
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][n:23][c:24]([N:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:33][CH:34]([CH2:35][C:36](=[O:37])[OH:38])[CH2:39][CH3:40].[Cl:55][CH2:56][Cl:57].[NH:52]=[C:53]=[NH:54].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:41].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][n:23][c:24]([N:27]3[CH2:28][CH2:29][N:30]([C:36]([CH2:35][CH:34]([CH3:33])[CH2:39][CH3:40])=[O:37])[CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-f48490403a9f4120b6cf78201a1633c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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