1,4-Dioxane → 4-{2-[(3,5-Bis-trifluoromethyl-phenyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidin-5-yloxy}-butyric acid
反応式
[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([c:14]2[n:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:18][n:19]2)[CH2:31][c:32]2[c:33](-[c:42]3[c:43]([O:51][CH3:52])[cH:44][cH:45][c:46]([CH:48]([CH3:49])[CH3:50])[cH:47]3)[cH:34][cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:53])[F:54].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([c:14]2[n:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:18][n:19]2)[CH2:31][c:32]2[c:33](-[c:42]3[c:43]([O:51][CH3:52])[cH:44][cH:45][c:46]([CH:48]([CH3:49])[CH3:50])[cH:47]3)[cH:34][cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:53])[F:54]参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-df2bb2225a564f54b46e8213bcd9062e
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)