Dichloromethane → 4-[3-(2,4-Dimethyl-imidazol-1-yl)-phenyl]-8-phenylethynyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:22][C:23]([CH2:24][C:25](=[O:5])[c:27]2[cH:28][c:29](-[n:33]3[c:34]([CH3:39])[n:35][c:36]([CH3:38])[cH:37]3)[cH:30][cH:31][cH:32]2)=[O:40])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:12][cH:13]1)([CH3:6])([CH3:26])[CH3:41].[Cl:49][CH2:50][Cl:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[N:7]1=[C:25]([c:27]2[cH:28][c:29](-[n:33]3[c:34]([CH3:39])[n:35][c:36]([CH3:38])[cH:37]3)[cH:30][cH:31][cH:32]2)[CH2:24][C:23](=[O:40])[NH:22][c:9]2[c:8]1[cH:13][cH:12][c:11]([C:14]#[C:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[cH:10]2참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-a4aa5e6674e6465e8b8cfddb212bc349
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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