Sodium ion → 2-[7-(2-Butynyl)-1-methyl-6-oxo-8-(piperazin-1-yl)-6,7-dihydro-1H-purin-2-yloxy]benzamide
Reaction equation
[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:26]2[CH2:27][CH2:28][N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]2)[n:7][c:8]2[n:9][c:10]([O:16][c:17]3[c:18]([C:23]([NH2:24])=[O:25])[cH:19][cH:20][cH:21][cH:22]3)[n:11]([CH3:15])[c:12](=[O:14])[c:13]12.[Na+:40].[OH-:39].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:7][c:8]2[n:9][c:10]([O:16][c:17]3[c:18]([C:23]([NH2:24])=[O:25])[cH:19][cH:20][cH:21][cH:22]3)[n:11]([CH3:15])[c:12](=[O:14])[c:13]12Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-119cc57036404471a564706e7268c755
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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