Water → [4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](2-methoxyphenyl)methanone
Reaction equation
[CH3:23][N:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[CH2:28][CH2:29]1.[CH:49]([OH:50])([CH3:51])[CH3:52].[NH2:1][c:2]1[n:3][c:4]([S:18]([CH2:19][CH3:20])(=[O:21])=[O:22])[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]1.[OH2:37].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[NH2:1][c:2]1[n:3][c:4]([NH:34][c:33]2[cH:32][cH:31][c:30]([N:27]3[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]3)[cH:36][cH:35]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-9164f9b68a7043d58bb7f6a0ac8a87f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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