4-Methyl-1,4-diazepan-5-one → HCID 68678259, 화합물
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[CH3:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42][C:43]1=[O:44].[NH2:1][c:2]1[n:3][cH:4][c:5]([CH:32]=[CH:33][CH:34]=[O:35])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2>>[NH2:1][c:2]1[n:3][cH:4][c:5]([CH:32]=[CH:33][CH2:34][N:40]2[CH2:39][CH2:38][N:37]([CH3:36])[C:43](=[O:44])[CH2:42][CH2:41]2)[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-5b09ac87377d42c68625bd6624f8aabb
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
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