Dichloromethane → 2-[2-(3,5-Difluoro-benzylcarbamoyl)-propionylamino]-3-(1H-indol-3-yl)-propionic acid
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][c:9]1[cH:10][nH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12)[NH:18][C:19]([CH:20]([CH3:21])[C:22]([NH:23][CH2:24][c:25]1[cH:26][c:27]([F:32])[cH:28][c:29]([F:31])[cH:30]1)=[O:33])=[O:34])=[O:35].[Cl:43][CH2:44][Cl:45].[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[O:5]=[C:6]([CH:7]([CH2:8][c:9]1[cH:10][nH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12)[NH:18][C:19]([CH:20]([CH3:21])[C:22]([NH:23][CH2:24][c:25]1[cH:26][c:27]([F:32])[cH:28][c:29]([F:31])[cH:30]1)=[O:33])=[O:34])[OH:35]참가 물질
4
출처 및 근거
- ORD 기록
- ord-abfdd005e82c40ffbf8d1a59eae2f386
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)