Methanol → HCID 178493548, 화합물
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[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][O:7][c:8]1[cH:9][c:10]([O:45][CH3:46])[c:11]([NH:14][C:15](=[O:16])[CH:17]2[CH:18]([c:37]3[c:38]([F:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]3)[C:19]3([C:20](=[O:29])[NH:21][c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][c:27]43)[CH:30]([CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[NH:31]2)[cH:12][cH:13]1.[CH3:47][OH:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54]>>[CH3:1][S:2](=[O:3])[CH2:5][CH2:6][O:7][c:8]1[cH:9][c:10]([O:45][CH3:46])[c:11]([NH:14][C:15](=[O:16])[CH:17]2[CH:18]([c:37]3[c:38]([F:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]3)[C:19]3([C:20](=[O:29])[NH:21][c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][c:27]43)[CH:30]([CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[NH:31]2)[cH:12][cH:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-9c3675f4e24f42d4a166e119d1eecbc5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)