HCID 15524163, 화합물 → Methyl 2-[({4-[1-(t-butoxycarbonyl)propyl]benzenesulfonylamino}carbonyl)amino]-4-chlorobenzoate
반응식
[Cl:21][c:22]1[cH:23][c:24]([NH:32][C:33](=[O:34])[O:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]1.[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][CH3:20])[cH:9][cH:10]1>>[NH:1]([S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][CH3:20])[cH:9][cH:10]1)[C:33]([NH:32][c:24]1[cH:23][c:22]([Cl:21])[cH:31][cH:30][c:25]1[C:26](=[O:27])[O:28][CH3:29])=[O:34]참가 물질
3
출처 및 근거
- ORD 기록
- ord-4e558f6ca112444c8b1687efc36a0d0c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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