반응식
[CH3:31][C:32](=[O:33])[OH:34].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[CH2:15][CH2:16][CH:17]([NH2:20])[CH2:18][O:19]1.[CH:39]([CH:40]1[CH2:41][CH:42]([NH:43][CH2:44][c:45]2[cH:46][cH:47][c:48]([F:49])[cH:50][cH:51]2)[CH2:52][CH2:53][O:54]1)([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:21][c:22]1[cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28][c:29]1[Cl:30].[Cl:35][CH2:36][CH2:37][Cl:38]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[CH2:15][CH2:16][CH:17]([NH:20][CH2:25][c:24]2[cH:23][c:22]([Cl:21])[c:29]([Cl:30])[cH:28][cH:27]2)[CH2:18][O:19]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-4d536ba2c21a4f139cfc1f14a5852a77
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…