Chloride → 4-{4-[2-Amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-butyric acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[n:16][c:17]([NH2:31])[n:18][c:19](-[c:21]3[c:22]([O:28][CH2:29][CH3:30])[cH:23][cH:24][c:25]([Cl:27])[cH:26]3)[cH:20]2)[cH:12][cH:13]1)=[O:32].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][CH2:45][OH:46].[Cl-:36].[ClH:37].[Na+:34].[Na+:35].[OH-:33]>>[O:3]=[C:4]([CH2:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[n:16][c:17]([NH2:31])[n:18][c:19](-[c:21]3[c:22]([O:28][CH2:29][CH3:30])[cH:23][cH:24][c:25]([Cl:27])[cH:26]3)[cH:20]2)[cH:12][cH:13]1)[OH:32]Participants
8
Sources & evidence
- ORD record
- ord-83ab45c6f6a44973be414e2f5f41dbac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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