3-Chloro-4-fluoro-1-benzothiophene-2-carbonyl chloride → tert-Butyl (4-{(3-chloro-4-fluoro-benzo[b]thiophene-2-carbonyl)-[5-(2,6-dimethyl-pyridin-4-yl)-2-methoxy-benzyl]-amino}-cyclohexyl)-methyl-carbamate
反応式
[CH3:1][c:2]1[n:3][c:4]([CH3:33])[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([O:31][CH3:32])[c:12]([CH2:13][NH:14][CH:15]3[CH2:16][CH2:17][CH:18]([N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH3:29])[CH2:19][CH2:20]3)[cH:30]2)[cH:7]1.[Cl:34][c:35]1[c:36]2[c:37]([s:38][c:39]1[C:40](=[O:41])[Cl:42])[cH:43][cH:44][cH:45][c:46]2[F:47]>>[CH3:1][c:2]1[n:3][c:4]([CH3:33])[cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([O:31][CH3:32])[c:12]([CH2:13][N:14]([CH:15]3[CH2:16][CH2:17][CH:18]([N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH3:29])[CH2:19][CH2:20]3)[C:40]([c:39]3[c:35]([Cl:34])[c:36]4[c:37]([s:38]3)[cH:43][cH:44][cH:45][c:46]4[F:47])=[O:41])[cH:30]2)[cH:7]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-a1cd599913364c8a9ff80cba310694b0
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)