Dichloromethane → 2-(4-(3-(1H-benzo[d]imidazol-2-yl)-1H-indazol-5-yl)phenyl)-2-methylpropanenitrile
반응식
[Cl:43][CH2:44][Cl:45].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[nH:8]1[c:9](-[c:17]2[n:18][n:19]([CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][O:42]3)[c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][cH:28][c:29]([C:32]([C:33]#[N:34])([CH3:35])[CH3:36])[cH:30][cH:31]4)[cH:24][c:25]23)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[n:8]1[c:9](-[c:17]2[n:18][nH:19][c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][cH:28][c:29]([C:32]([C:33]#[N:34])([CH3:35])[CH3:36])[cH:30][cH:31]4)[cH:24][c:25]23)[nH:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-e626af388696477fbcd9c10db7cc0db0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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