2-Ethylbenzimidazole → 4-(8-((4-tert-butylpiperazin-1-yl)methyl)-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine
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])[c:31]1[n:32][c:33]2[c:34]([nH:35]1)[cH:36][cH:37][cH:38][cH:39]2>>[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[c:31]([CH2:29][CH3:30])[n:35][c:34]5[c:33]4[cH:39][cH:38][cH:37][cH:36]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-85760367ac1647f8b5269104bf5a1674
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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