Water → HCID 20132483, 화합물
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[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH:6]([c:15]2[cH:16][c:17]([N+:21](=[O:22])[O-:23])[cH:18][cH:19][cH:20]2)[C:5]([C:24](=[O:25])[O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][N:33]2[C:34](=[O:35])[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[C:42]2=[O:43])=[C:4]([CH3:44])[NH:3]1.[NH2:46][NH2:47].[OH2:45]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH:12]([CH3:13])[CH3:14])[CH:6]([c:15]2[cH:16][c:17]([N+:21](=[O:22])[O-:23])[cH:18][cH:19][cH:20]2)[C:5]([C:24](=[O:25])[O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][NH2:33])=[C:4]([CH3:44])[NH:3]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-374d9a991afc41f9801cdedead67ae94
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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