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[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][NH:22][C:23](=[O:24])[C:25]2([CH2:38][CH2:39][CH2:40][CH2:41][Br:42])[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3-[c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]32)[cH:43][cH:44]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[n:8]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][N:12]([CH2:41][CH2:40][CH2:39][CH2:38][C:25]3([C:23]([NH:22][CH2:21][c:20]4[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:44][cH:43]4)=[O:24])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4-[c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]43)[CH2:13][CH2:14]2)[n:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-5463596ec87a42ef95309bd94580bf77
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…