Methanol → HCID 178460179, 화합물
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[CH3:51][OH:52].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([O:27][CH2:28][CH2:29][NH:30][C:31]([CH2:32][CH3:33])=[O:34])[n:10][cH:11][c:12]([C:14](=[O:15])[N:16]3[C:17]([CH3:25])([CH3:26])[O:18][CH2:19][CH:20]3[CH2:21][CH:22]([CH3:23])[CH3:24])[cH:13]2)[cH:6][cH:7]1.[O:35]=[S:36](=[O:37])([OH:38])[CH2:39][C:40]12[CH2:41][CH2:42][CH:43]([C:44]1([CH3:45])[CH3:46])[CH2:47][C:48]2=[O:49].[OH2:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([O:27][CH2:28][CH2:29][NH:30][C:31]([CH2:32][CH3:33])=[O:34])[n:10][cH:11][c:12]([C:14](=[O:15])[NH:16][CH:20]([CH2:19][OH:18])[CH2:21][CH:22]([CH3:23])[CH3:24])[cH:13]2)[cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-0bee136302d740688b6c58ee9fc160eb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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