2-Methylbenzoyl isothiocyanate → HCID 15135529, 화합물
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[CH3:12][c:13]1[c:14]([C:15](=[O:16])[N:17]=[C:18]=[S:19])[cH:20][cH:21][cH:22][cH:23]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH3:7])[cH:8][cH:9][cH:10][cH:11]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[NH:6][CH3:7])[cH:8][cH:9][cH:10][cH:11]1)[C:18]([NH:17][C:15]([c:14]1[c:13]([CH3:12])[cH:23][cH:22][cH:21][cH:20]1)=[O:16])=[S:19]참가 물질
3
출처 및 근거
- ORD 기록
- ord-d139385ae2db4413bc339f2dddb8daad
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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