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[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:36])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([OH:35])[C:21]([CH3:34])=[CH:22][CH:23]3[CH:24]([CH:31]([CH3:32])[CH3:33])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1.[Cl:37][C:38](=[O:39])[O:40][CH2:41][C:42]#[CH:43].[Cl:53][CH2:54][Cl:55]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:36])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([O:35][C:38](=[O:39])[O:40][CH2:41][C:42]#[CH:43])[C:21]([CH3:34])=[CH:22][CH:23]3[CH:24]([CH:31]([CH3:32])[CH3:33])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-07dfedd0ccd8430da3f56c5e7561df7b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…