Ethanol → 2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
반응식
[CH3:24][S:25][c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH3:41][CH2:42][OH:43].[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12]([Br:23])[c:13]([O:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[OH:22])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12](-[c:29]3[cH:28][cH:27][c:26]([S:25][CH3:24])[cH:31][cH:30]3)[c:13]([O:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[OH:22])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8]참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-c2e56f15d9eb426491160ae1949e2de1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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