Dichloromethane → 3-(7-Furan-2-yl-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-benzonitrile
반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:19][C:20]([CH2:21][C:22](=[O:5])[c:24]2[cH:25][c:26]([C:30]#[N:31])[cH:27][cH:28][cH:29]2)=[O:32])[cH:10][c:11](-[c:14]2[o:15][cH:16][cH:17][cH:18]2)[cH:12][cH:13]1)([CH3:6])([CH3:23])[CH3:33].[Cl:41][CH2:42][Cl:43].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40]>>[N:7]1=[C:22]([c:24]2[cH:25][c:26]([C:30]#[N:31])[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:32])[NH:19][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[o:15][cH:16][cH:17][cH:18]1)[cH:10]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-07e58b4fbc534b2aba1feac25c660184
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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