2,5-Dimethylpiperazine → 5-[8-(2,5-Dimethylpiperazin-1-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
Reaction equation
[CH3:1][CH:2]1[NH:3][CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1.[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[Cl:9][c:10]1[n:11]([CH2:32][CH:33]([CH3:34])[CH3:35])[c:12]2[n:13][c:14](-[c:25]3[cH:26][n:27][c:28]([NH2:31])[n:29][cH:30]3)[n:15][c:16]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[c:17]2[n:18]1>>[CH3:1][CH:2]1[N:3]([c:10]2[n:11]([CH2:32][CH:33]([CH3:34])[CH3:35])[c:12]3[n:13][c:14](-[c:25]4[cH:26][n:27][c:28]([NH2:31])[n:29][cH:30]4)[n:15][c:16]([N:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[c:17]3[n:18]2)[CH2:4][CH:5]([CH3:8])[NH:6][CH2:7]1Participants
4
Sources & evidence
- ORD record
- ord-196b5eb88b864c56bfe05b474e43b4d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI