3-(Methylsulfanyl)phenol → HCID 178503201, 화합물
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[CH3:27][S:28][c:29]1[cH:30][c:31]([OH:35])[cH:32][cH:33][cH:34]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[C:8](=[O:9])[NH:10][CH:11]([CH3:12])[c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25]1>>[c:2]1([O:35][c:31]2[cH:30][c:29]([S:28][CH3:27])[cH:34][cH:33][cH:32]2)[n:3][cH:4][c:5]([Cl:26])[cH:6][c:7]1[C:8](=[O:9])[NH:10][CH:11]([CH3:12])[c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-3112a0da413e4aacaac5ef4150c1d8c1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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