6-fluoro-3-(4-{4-[(2-methylpyridin-3-yl)oxy]phenyl}-1H-1,2,3-triazol-1-yl)-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one → 6-fluoro-3-(4-{4-[(1-methyl-1H-pyrazol-5-yl)oxy]phenyl}-1H-1,2,3-triazol-1-yl)-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
反応式
[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH2:8][CH2:9][CH:10]([n:19]1[n:20][n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[c:32]([CH3:33])[n:34][cH:35][cH:36][cH:37]4)[cH:28][cH:29]3)[cH:23]1)[C:11](=[O:18])[N:12]2[CH2:13][C:14]([F:15])([F:16])[F:17].[OH:38][c:39]1[cH:40][cH:41][n:42][n:43]1[CH3:44]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH2:8][CH2:9][CH:10]([n:19]1[n:20][n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:39]4[cH:40][cH:41][n:42][n:43]4[CH3:44])[cH:28][cH:29]3)[cH:23]1)[C:11](=[O:18])[N:12]2[CH2:13][C:14]([F:15])([F:16])[F:17]参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-32b5c9ea12814116b3aa435645db1047
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)