Phenyl Isothiocyanate → HCID 4034682, 화합물
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[NH2:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15][c:16]1[O:17][CH3:18].[c:19]1([N:25]=[C:26]=[S:27])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[NH:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15][c:16]1[O:17][CH3:18])[C:26]([NH:25][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)=[S:27]참가 물질
3
출처 및 근거
- ORD 기록
- ord-e5d14a72a38c4ff3a2e525c97432558a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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