Ammonium → HCID 59375151, 화합물
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[CH3:1][C:2]1=[C:6]([CH3:7])[CH2:5][N:4]([c:8]2[c:9]([CH3:34])[c:10](-[c:14]3[cH:15][cH:16][c:17]([C:31](=[O:32])[NH2:33])[c:18]4[nH:19][c:20]5[cH:21][c:22]([C:27]([CH3:28])([CH3:29])[OH:30])[cH:23][cH:24][c:25]5[c:26]34)[cH:11][cH:12][cH:13]2)[C:3]1=[O:35].[CH3:40][OH:41].[CH:36]([O-:37])=[O:38].[Cl:42][CH2:43][Cl:44].[NH4+:39]>>[CH3:1][CH:2]1[C:3](=[O:35])[N:4]([c:8]2[c:9]([CH3:34])[c:10](-[c:14]3[cH:15][cH:16][c:17]([C:31](=[O:32])[NH2:33])[c:18]4[nH:19][c:20]5[cH:21][c:22]([C:27]([CH3:28])([CH3:29])[OH:30])[cH:23][cH:24][c:25]5[c:26]34)[cH:11][cH:12][cH:13]2)[CH2:5][CH:6]1[CH3:7]참가 물질
6
출처 및 근거
- ORD 기록
- ord-6f264c0f79fb43cf853d5b9a5e60cdd3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)