Dichloromethane → 2-(4-(4-((2,4-Dichlorophenethyl)carbamoyl)-3-fluorophenoxy)-3-cyanophenyl)acetic acid
반응식
[Cl:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[c:10]([F:32])[cH:11][c:12]([O:13][c:14]3[c:15]([C:28]#[N:29])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:18][cH:19]3)[cH:30][cH:31]2)[cH:33][cH:34][c:35]([Cl:37])[cH:36]1.[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[Cl:1][c:2]1[c:3]([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[c:10]([F:32])[cH:11][c:12]([O:13][c:14]3[c:15]([C:28]#[N:29])[cH:16][c:17]([CH2:20][C:21](=[O:22])[OH:23])[cH:18][cH:19]3)[cH:30][cH:31]2)[cH:33][cH:34][c:35]([Cl:37])[cH:36]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-2d0d2f10beb1451eaa038b27bce5eb4e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)