반응식
[C:1]([O:2][BH3-:3])(=[O:4])[CH3:5].[C:48](=[O:49])([OH:50])[O-:51].[CH:7]([CH:8]([CH3:9])[CH3:10])=[O:11].[Cl:12][c:13]1[cH:14][cH:15][c:16]([CH:19]([N:20]2[CH2:21][C:22](=[CH:24][S:25](=[O:26])(=[O:27])[CH2:28][c:29]3[cH:30][c:31]([N:35]4[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]4)[cH:32][cH:33][cH:34]3)[CH2:23]2)[c:41]2[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]2)[cH:17][cH:18]1.[Cl:53][CH2:54][CH2:55][Cl:56].[Cl:57][CH2:58][Cl:59].[Na+:52].[Na+:6]>>[CH2:7]([CH:8]([CH3:9])[CH3:10])[N:38]1[CH2:37][CH2:36][N:35]([c:31]2[cH:30][c:29]([CH2:28][S:25]([CH:24]=[C:22]3[CH2:21][N:20]([CH:19]([c:16]4[cH:15][cH:14][c:13]([Cl:12])[cH:18][cH:17]4)[c:41]4[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]4)[CH2:23]3)(=[O:26])=[O:27])[cH:34][cH:33][cH:32]2)[CH2:40][CH2:39]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-abc33be98ce04dfd8763412e66230ea1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…