Water → 2-(3,4-Difluorophenyl)-4-(2-cyclopentyl-1-ethoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone
Reaction equation
[CH:37]1([CH2:42][CH2:43][OH:44])[CH2:38][CH2:39][CH2:40][CH2:41]1.[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12](-[c:27]3[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[c:13]([O:16][S:17]([c:18]3[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]3)(=[O:25])=[O:26])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8].[OH2:45]>>[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12](-[c:27]3[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[c:13]([O:16][CH2:43][CH2:42][CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41]3)[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8]Participants
4
Sources & evidence
- ORD record
- ord-a24e9c364acc4dfa8ddd829f6c269483
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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