Chloroform → HCID 178523042, 화합물
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[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[CH:58]([Cl:59])([Cl:60])[Cl:61].[Cl:1][c:2]1[s:3][c:4]2[c:5]([n:6][c:7]([C:11]([F:12])([F:13])[F:14])[n:8][c:9]2[Cl:10])[n:15]1.[F:16][C:17]([O:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][NH:24][C:25](=[O:26])[CH:27]2[N:28]([S:33](=[O:34])(=[O:35])[c:36]3[cH:37][cH:38][c:39]([CH:42]4[CH2:43][CH2:44]4)[cH:40][cH:41]3)[CH2:29][CH2:30][NH:31][CH2:32]2)[cH:45][cH:46]1)([F:47])[F:48]>>[c:2]1([N:31]2[CH2:30][CH2:29][N:28]([S:33](=[O:34])(=[O:35])[c:36]3[cH:37][cH:38][c:39]([CH:42]4[CH2:43][CH2:44]4)[cH:40][cH:41]3)[CH:27]([C:25]([NH:24][CH2:23][c:22]3[cH:21][cH:20][c:19]([O:18][C:17]([F:16])([F:47])[F:48])[cH:46][cH:45]3)=[O:26])[CH2:32]2)[s:3][c:4]2[c:5]([n:6][c:7]([C:11]([F:12])([F:13])[F:14])[n:8][c:9]2[Cl:10])[n:15]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-3a21ff955c0245ac9e49813c4bf82b90
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
- DOI