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[Br-:22].[Br-:23].[Br-:24].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:19]([CH3:20])=[O:21])[cH:8][c:9]([O:11][CH:12]([CH2:13][O:14][CH3:15])[CH2:16][O:17][CH3:18])[cH:10]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:55][OH:56].[Cl:62][CH2:63][Cl:64].[c:25]1([N+:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:35]1([N+:36]([CH3:37])([CH3:38])[CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:45]1([N+:46]([CH3:47])([CH3:48])[CH3:49])[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:19]([CH2:20][Br:22])=[O:21])[cH:8][c:9]([O:11][CH:12]([CH2:13][O:14][CH3:15])[CH2:16][O:17][CH3:18])[cH:10]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-9562293e8da34ee89a1355658f3f2195
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…