3-chloro-2-(4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile → HCID 178426610, 화합물
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][O:9][CH2:10][CH:11]([C:12](=[O:13])[NH:14][c:15]1[n:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[OH:22])([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:35][c:36]1[c:37](-[n:44]2[n:45][cH:46][c:47]3[c:48]2[n:49][cH:50][n:51][c:52]3[Cl:53])[c:38]([C:39]#[N:40])[cH:41][cH:42][cH:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][O:9][CH2:10][CH:11]([C:12](=[O:13])[NH:14][c:15]1[n:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[O:22][c:52]1[c:47]2[cH:46][n:45][n:44](-[c:37]3[c:36]([Cl:35])[cH:43][cH:42][cH:41][c:38]3[C:39]#[N:40])[c:48]2[n:49][cH:50][n:51]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-4215622b494e48219aa835720a7e3e32
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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