Ethanol → HCID 18982127, 화합물
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[CH3:22][CH2:23][OH:24].[NH2:1][c:2]1[n:3][c:4]([NH:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[n:5][c:6]([NH2:10])[c:7]1[N:8]=[O:9].[Na+:31].[Na+:32].[OH2:33].[S:25]([S:26]([O-:27])=[O:28])([O-:29])=[O:30]>>[NH2:1][c:2]1[n:3][c:4]([NH:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[n:5][c:6]([NH2:10])[c:7]1[NH2:8]참가 물질
6
출처 및 근거
- ORD 기록
- ord-44e84a795f0f4f07b2cba1175f34c46d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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