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[CH2:25]([CH3:26])[O:27][C:28](=[O:29])[CH2:30][c:31]1[c:32]2[c:33]([cH:34][cH:35][c:36]([O:37][CH3:38])[cH:39]2)[nH:40][c:41]1[CH3:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([CH3:24])[c:11]([CH2:20][C:21](=[O:22])[OH:23])[c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[Cl:43][c:44]1[cH:45][cH:46][c:47]([CH2:48][Cl:49])[cH:50][cH:51]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([CH3:24])[c:11]([CH2:20][C:21]([O:22][CH2:25][CH3:26])=[O:23])[c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][c:17]23)[cH:6][cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-0a10c412850c42508ec8d4ce6475c641
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…