Gastro → Gastro
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[CH3:21][CH:22]([CH3:23])[CH2:24][c:25]1[cH:26][cH:27][c:28]([CH:31]([CH3:32])[C:33]([OH:34])=[O:35])[cH:29][cH:30]1.[NH2:1][C:2]([NH2:3])=[N:4][c:5]1[n:6][c:7]([CH2:8][S:9][CH2:10][CH2:11][C:12]([NH2:13])=[N:14][S:15]([NH2:16])(=[O:17])=[O:18])[cH:19][s:20]1>>[CH3:21][CH:22]([CH3:23])[CH2:24][c:25]1[cH:26][cH:27][c:28]([CH:31]([CH3:32])[C:33](=[O:34])[OH:35])[cH:29][cH:30]1.[NH2:1][C:2]([NH2:3])=[N:4][c:5]1[n:6][c:7]([CH2:8][S:9][CH2:10][CH2:11][C:12]([NH2:13])=[N:14][S:15]([NH2:16])(=[O:17])=[O:18])[cH:19][s:20]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-3b90706966fe44efa978fafcf114b0b4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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