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[Br:1][c:2]1[c:3]([O:9][CH:10]2[CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]2)[n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH3:22][CH:23]1[CH2:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][CH2:38][OH:39].[ClH:21]>>[Br:1][c:2]1[c:3]([O:9][CH:10]2[CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]2)[n:4][c:5]([NH:29][CH:26]2[CH2:25][CH2:24][CH:23]([CH3:22])[CH2:28][CH2:27]2)[n:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-9fedbb0721574023bc8beb841c23391b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…