Water → Ethyl 4-[(pentadecafluoroheptyl)methylamino]benzoate
반응식
[CH3:32][CH2:33][O:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([NH2:41])[cH:42][cH:43]1.[CH3:44][N:45]([P:46]([N:47]([CH3:48])[CH3:49])([N:50]([CH3:51])[CH3:52])=[O:53])[CH3:54].[F:1][C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([F:8])([F:9])[CH2:10][O:11][S:12]([C:13]([F:14])([F:15])[F:16])(=[O:17])=[O:18])([F:19])[F:20])([F:21])[F:22])([F:23])[F:24])([F:25])[F:26])([C:27]([F:28])([F:29])[F:30])[F:31].[OH2:55]>>[F:1][C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([F:8])([F:9])[N:41]([c:40]1[cH:39][cH:38][c:37]([C:35]([O:34][CH2:33][CH3:32])=[O:36])[cH:43][cH:42]1)[CH3:44])([F:19])[F:20])([F:21])[F:22])([F:23])[F:24])([F:25])[F:26])([C:27]([F:28])([F:29])[F:30])[F:31]참가 물질
5
출처 및 근거
- ORD 기록
- ord-52d093065ebe49299611b65b6ed1b553
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)