7-Amino-5-methyl-5H-dibenzo[b,d]azepin-6(7H)-one → N-(3,5-Difluoro-benzyl)-2-isopropyl-N'-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-malonamide
반응식
[F:19][c:20]1[cH:21][c:22]([CH2:23][NH:24][C:25]([CH:26]([C:27](=[O:28])[OH:29])[CH:30]([CH3:31])[CH3:32])=[O:33])[cH:34][c:35]([F:37])[cH:36]1.[NH2:1][CH:2]1[c:3]2[c:4]([cH:15][cH:16][cH:17][cH:18]2)-[c:5]2[c:6]([cH:11][cH:12][cH:13][cH:14]2)[N:7]([CH3:10])[C:8]1=[O:9]>>[NH:1]([CH:2]1[c:3]2[c:4]([cH:15][cH:16][cH:17][cH:18]2)-[c:5]2[c:6]([cH:11][cH:12][cH:13][cH:14]2)[N:7]([CH3:10])[C:8]1=[O:9])[C:27]([CH:26]([C:25]([NH:24][CH2:23][c:22]1[cH:21][c:20]([F:19])[cH:36][c:35]([F:37])[cH:34]1)=[O:33])[CH:30]([CH3:31])[CH3:32])=[O:28]참가 물질
3
출처 및 근거
- ORD 기록
- ord-6df7f6013ce04bf486bc8d174c1e9f03
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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