Dimethylformamide → 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionyl chloride
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5][c:6]1[c:7]([CH2:26][C:27]([C:28](=[O:29])[OH:30])([CH3:31])[CH3:32])[n:8]([CH2:18][c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH3:16])[CH3:17])[cH:13][c:14]12.[Cl:33][C:34]([C:35]([Cl:36])=[O:37])=[O:38].[Cl:44][CH2:45][Cl:46].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5][c:6]1[c:7]([CH2:26][C:27]([C:28](=[O:29])[Cl:33])([CH3:31])[CH3:32])[n:8]([CH2:18][c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH3:16])[CH3:17])[cH:13][c:14]12참가 물질
5
출처 및 근거
- ORD 기록
- ord-d95e510bf40f44b288c44623a46571dd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)