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[CH3:3][CH:4]([OH:5])[CH2:6][CH3:7].[CH3:57][C:58](=[O:59])[CH2:60][CH3:61].[Cl:43][C:44]1=[C:51]([Cl:52])[C:49](=[O:50])[c:48]2[c:47]([cH:56][cH:55][cH:54][cH:53]2)[C:45]1=[O:46].[Na+:2].[OH-:1].[OH:8][c:9]1[c:10](-[n:33]2[n:34][c:35]3[c:36]([n+:37]2[O-:38])[cH:39][cH:40][cH:41][cH:42]3)[cH:11][c:12]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:13][c:14]1[C:15]([CH3:16])([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[OH:8][c:9]1[c:10](-[n:33]2[n:34][c:35]3[c:36]([n:37]2)[cH:39][cH:40][cH:41][cH:42]3)[cH:11][c:12]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:13][c:14]1[C:15]([CH3:16])([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-a5a72ad4b5f748fc9d7e89d2c14d5556
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…