2-ethyl-1H-indazol-3(2H)-one → 1-(8-((4-tert-butylpiperazin-1-yl)methyl)-9-methyl-6-morpholino-9H-purin-2-yl)-2-ethyl-1H-indazol-3(2H)-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[n:13]([CH3:28])[c:14]3[n:15][c:16]([Cl:27])[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[n:20]2)[CH2:9][CH2:10]1.[CH2:29]([CH3:30])[n:31]1[nH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[c:39]1=[O:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[n:13]([CH3:28])[c:14]3[n:15][c:16](-[n:32]4[n:31]([CH2:29][CH3:30])[c:39](=[O:40])[c:38]5[c:33]4[cH:34][cH:35][cH:36][cH:37]5)[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[n:20]2)[CH2:9][CH2:10]1Participants
3
Sources & evidence
- ORD record
- ord-cac09332761542438b27474b6e064dac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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