Dichloromethane → HCID 58531420, 화합물
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[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:47][CH2:48][Cl:49].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH2:10][NH:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23][cH:24]2)[cH:25][cH:26]1.[OH:34][c:35]1[c:36]([S:43](=[O:44])(=[O:45])[Cl:46])[cH:37][c:38]([Cl:42])[cH:39][c:40]1[Cl:41]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[S:43]([c:36]3[c:35]([OH:34])[c:40]([Cl:41])[cH:39][c:38]([Cl:42])[cH:37]3)(=[O:44])=[O:45])[cH:22][cH:23][cH:24]2)[cH:25][cH:26]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-cae1525c01274de6b798b1239e500051
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)