Hexane → 4-(5-Fluoro-2-hydroxyphenyl)-1-(isoquinoline-1-ylamino)-4-methyl-2-(trifluoromethyl)pentan-2-ol
反応式
[C:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[F:1][c:2]1[cH:3][cH:4][c:5]([O:30][CH3:31])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[n:14][cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)([OH:23])[C:24]([F:25])([F:26])[F:27])([CH3:28])[CH3:29])[cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([OH:30])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[n:14][cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)([OH:23])[C:24]([F:25])([F:26])[F:27])([CH3:28])[CH3:29])[cH:7]1参加物
4
出典と根拠
- ORDレコード
- ord-9ca95c5357794ef8b40e796e35f9f94a
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
反応ノート
読み込み中…