4-(8-((4-tert-butylpiperazin-1-yl)methyl)-2-chloro-9-methyl-9H-purin-6-yl)morpholine → 4-(8-((4-tert-butylpiperazin-1-yl)methyl)-9-methyl-6-morpholino-9H-purin-2-yl)isoquinolin-1-amine
반응식
[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.[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][n:39][c:40]([NH2:47])[c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]23)[O:48]1>>[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](-[c:37]4[cH:38][n:39][c:40]([NH2:47])[c:41]5[cH:42][cH:43][cH:44][cH:45][c:46]45)[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]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-d9577eb043fb42eea8f6ca8ad83601f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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