Water → HCID 69065080, 화합물
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[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:27])[OH:28])[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[c:6]2[n:7][c:8]([CH3:13])[cH:9][c:10]([CH3:12])[c:11]12.[C:29]([Cl:30])(=[O:31])[C:32]([Cl:33])=[O:34].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[NH2:35][c:36]1[cH:37][n:38][cH:39][cH:40][cH:41]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:54]>>[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:28])[NH:35][c:36]2[cH:37][n:38][cH:39][cH:40][cH:41]2)[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[c:6]2[n:7][c:8]([CH3:13])[cH:9][c:10]([CH3:12])[c:11]12참가 물질
8
출처 및 근거
- ORD 기록
- ord-30751b934c3e4028b77e29cec8702560
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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