Benzoic Acid → HCID 18922205, 화합물
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[NH2:1][c:2]1[n:3][n:4]([C:8](=[S:9])[NH:10][CH3:11])[c:5]([NH2:7])[n:6]1.[Na+:21].[OH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[OH:22][C:23](=[O:24])[O-:25].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1>>[NH:1]([c:2]1[n:3][n:4]([C:8](=[S:9])[NH:10][CH3:11])[c:5]([NH2:7])[n:6]1)[C:13](=[O:12])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-6c4de8b382304703b72448c9efc728c1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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