1-(2-amino-7,8-dihydro-6H-5-oxa-9-aza-benzocyclohepten-9-yl)-ethanone → 2-[2-(9-Acetyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-2-ylamino)-5-chloro-pyrimidin-4-ylamino]-3-fluoro-N-methyl-5-(1-methyl-1H-pyrazol-4-yl)-benzamide
반응식
[Cl:16][c:17]1[n:18][cH:19][c:20]([Cl:41])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][c:31](-[c:35]3[cH:36][n:37][n:38]([CH3:40])[cH:39]3)[cH:32][c:33]2[F:34])[n:22]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[N:7]([C:12]([CH3:13])=[O:14])[CH2:8][CH2:9][CH2:10][O:11]2>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[N:7]([C:12]([CH3:13])=[O:14])[CH2:8][CH2:9][CH2:10][O:11]2)[c:17]1[n:18][cH:19][c:20]([Cl:41])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH3:29])[cH:30][c:31](-[c:35]3[cH:36][n:37][n:38]([CH3:40])[cH:39]3)[cH:32][c:33]2[F:34])[n:22]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-cc54843aa39f4e1380346fa3bbdfae4b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)