Ethanol → HCID 86649038, 화합물
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[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[NH:18][c:19]3[c:20]2[cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]3)[cH:9][cH:10]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][CH2:44][OH:45].[K+:41].[K+:42].[NH2:35][OH:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[NH:18][c:19]3[c:20]2[cH:21][c:22]([C:25]([NH2:26])=[N:35][OH:36])[cH:23][cH:24]3)[cH:9][cH:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-64484bc77437460a85a6b00d57956afa
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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