Sodium ion → 2-Chloro-9-methyl-6-morpholin-4-yl-8-[4-(tetrahydropyran-4-yl)piperazin-1-ylmethyl]-9H-purine
Reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[n:6][c:7]([CH:12]=[O:13])[n:8]([CH3:11])[c:9]2[n:10]1.[Na+:45].[O:20]1[CH2:21][CH2:22][CH:23]([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[CH2:24][CH2:25]1>>[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[n:6][c:7]([CH2:12][N:29]3[CH2:28][CH2:27][N:26]([CH:23]4[CH2:22][CH2:21][O:20][CH2:25][CH2:24]4)[CH2:31][CH2:30]3)[n:8]([CH3:11])[c:9]2[n:10]1Participants
5
Sources & evidence
- ORD record
- ord-87833f194a254d04acbf75e9a3bd7667
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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