Water → HCID 136393673, 화합물
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[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[N:15][OH:16])[cH:17][c:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[c:19]1[OH:20].[CH3:25][C:26]([Cl:27])=[O:28].[OH2:29].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[N:15][O:16][C:26]([CH3:25])=[O:28])[cH:17][c:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[c:19]1[OH:20]참가 물질
5
출처 및 근거
- ORD 기록
- ord-87d8edbab98745f38357c4d671abc325
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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