Water → N-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-N'-(1-methylethyl)urea
Reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([NH2:21])[cH:22][cH:23]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][cH:15][cH:16]3)[cH:7]1.[CH:30]([CH3:31])([CH3:32])[N:33]=[C:34]=[O:35].[Cl:37][CH2:38][Cl:39].[OH2:36].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([NH:21][C:34]([NH:33][CH:30]([CH3:31])[CH3:32])=[O:35])[cH:22][cH:23]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][cH:15][cH:16]3)[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-81b840788d9d4ce9b4304c999aff4c0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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