N-methyl-2-pyrrolidone → 5-[9-(Cyclopropylmethyl)-8-(3,5-dimethylpiperazin-1-yl)-6-morpholin-4-ylpurin-2-yl]-4-methylpyrimidin-2-amine
Reaction equation
[CH3:1][CH:2]1[NH:3][CH:4]([CH3:8])[CH2:5][NH:6][CH2:7]1.[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[Cl:9][c:10]1[n:11]([CH2:33][CH:34]2[CH2:35][CH2:36]2)[c:12]2[n:13][c:14](-[c:25]3[c:26]([CH3:32])[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[NH:3][CH:4]([CH3:8])[CH2:5][N:6]([c:10]2[n:11]([CH2:33][CH:34]3[CH2:35][CH2:36]3)[c:12]3[n:13][c:14](-[c:25]4[c:26]([CH3:32])[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)[CH2:7]1Participants
4
Sources & evidence
- ORD record
- ord-80c0761d0c5c4a61befa0cc876f009bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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