Dichloromethane → 6-tert-butyl-8-fluoro-2-(2-(hydroxymethyl)-3-(1-methyl-6-oxo-5-(5-(piperidin-4-yl)pyridin-2-ylamino)-1,6-dihydropyridazin-3-yl)phenyl)phthalazin-1(2H)-one
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:51][OH:52])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([CH:38]6[CH2:39][CH2:40][N:41]([C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[CH2:42][CH2:43]6)[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[n:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1.[Cl:53][CH2:54][Cl:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:51][OH:52])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([CH:38]6[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]6)[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[n:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-baa26095e90d45d88d70aef47975ebe5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)