Water → HCID 178483116, 화합물
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[C:9]([c:10]1[nH:11][cH:12][cH:13][n:14]1)([c:15]1[nH:16][cH:17][cH:18][n:19]1)=[O:20].[CH3:21][NH:22][CH2:23][c:24]1[n:25][s:26][c:27]([NH2:29])[n:28]1.[O:1]1[CH:2]([C:6](=[O:7])[OH:8])[CH2:3][CH2:4][CH2:5]1.[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:35]>>[O:1]1[CH:2]([C:6](=[O:8])[N:22]([CH3:21])[CH2:23][c:24]2[n:25][s:26][c:27]([NH2:29])[n:28]2)[CH2:3][CH2:4][CH2:5]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-95e2076853cb440e96da4fc678624124
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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