Toluene → HCID 22667972, 화합물
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[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[NH:26][CH:27]1[CH:28]([NH2:33])[CH2:29][CH2:30][CH2:31][CH2:32]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:1][c:2]1[n:3][c:4]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[n:5][c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12>>[c:2]1([NH:33][CH:28]2[CH:27]([NH:26][C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:32][CH2:31][CH2:30][CH2:29]2)[n:3][c:4]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[n:5][c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12참가 물질
5
출처 및 근거
- ORD 기록
- ord-2731e5f9fd3e42a786c3108980e8e0a0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)