N-methyl-2-pyrrolidone → 5-[8-(4-Acetylpiperazin-1-yl)-9-(cyclopropylmethyl)-6-morpholin-4-yl-9H-purin-2-yl]pyrimidin-2-amine
Reaction equation
[C:28]([CH3:29])(=[O:30])[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[Cl:1][c:2]1[n:3]([CH2:24][CH:25]2[CH2:26][CH2:27]2)[c:4]2[n:5][c:6](-[c:17]3[cH:18][n:19][c:20]([NH2:23])[n:21][cH:22]3)[n:7][c:8]([N:11]3[CH2:12][CH2:13][O:14][CH2:15][CH2:16]3)[c:9]2[n:10]1>>[c:2]1([N:34]2[CH2:33][CH2:32][N:31]([C:28]([CH3:29])=[O:30])[CH2:36][CH2:35]2)[n:3]([CH2:24][CH:25]2[CH2:26][CH2:27]2)[c:4]2[n:5][c:6](-[c:17]3[cH:18][n:19][c:20]([NH2:23])[n:21][cH:22]3)[n:7][c:8]([N:11]3[CH2:12][CH2:13][O:14][CH2:15][CH2:16]3)[c:9]2[n:10]1Participants
4
Sources & evidence
- ORD record
- ord-ee0e964bd89a4d72b4ef2a2e99a09175
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)