Acetyl chloride → 5-[8-(4-Acetylpiperazin-1-yl)-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl]pyrimidin-2-amine
Reaction equation
[CH2:12]([CH:13]([CH3:14])[CH3:15])[n:16]1[c:17]2[n:18][c:19](-[c:37]3[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]3)[n:20][c:21]([N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:22]2[n:23][c:24]1[N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[CH3:8][C:9]([Cl:10])=[O:11]>>[CH3:8][C:9](=[O:11])[N:28]1[CH2:27][CH2:26][N:25]([c:24]2[n:16]([CH2:12][CH:13]([CH3:14])[CH3:15])[c:17]3[n:18][c:19](-[c:37]4[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]4)[n:20][c:21]([N:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[c:22]3[n:23]2)[CH2:30][CH2:29]1Participants
5
Sources & evidence
- ORD record
- ord-d455011de6984bf5b14b28824e3e46be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…