Dimethyl Sulfoxide → 2-(4-Fluorophenyl)-4-(4-methyl-3-pentenyloxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone
反応式
[CH3:36][C:37](=[CH:38][CH2:39][CH2:40][OH:41])[CH3:42].[CH3:43][S:44]([CH3:45])=[O:46].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11](-[c:26]3[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]3)[c:12]([O:15][S:16]([c:17]3[cH:18][cH:19][c:20]([CH3:21])[cH:22][cH:23]3)(=[O:24])=[O:25])[c:13]2=[O:14])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11](-[c:26]3[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]3)[c:12]([O:15][CH2:40][CH2:39][CH:38]=[C:37]([CH3:36])[CH3:42])[c:13]2=[O:14])[cH:6][cH:7]1参加物
4
出典と根拠
- ORDレコード
- ord-dc9f3f71d5d74093887b83b1970225b9
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)