4-Nitrobenzaldehyde → HCID 2803290, 화합물
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[CH:1]12[CH:2]([NH:8][C:9](=[S:10])[NH:11][NH2:12])[CH2:3][CH:4]([CH:5]=[CH:6]1)[CH2:7]2.[N+:13](=[O:14])([O-:15])[c:16]1[cH:17][cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23]1>>[CH:1]12[CH:2]([NH:8][C:9](=[S:10])[NH:11][N:12]=[CH:20][c:19]3[cH:18][cH:17][c:16]([N+:13](=[O:14])[O-:15])[cH:23][cH:22]3)[CH2:3][CH:4]([CH:5]=[CH:6]1)[CH2:7]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-831f83a65f4c40d683a878f8f03a5a9b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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