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[CH3:21][N:22]1[CH2:23][CH2:24][N:25]([CH2:28][c:29]2[c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:33](=[O:34])[Cl:35])[cH:36][cH:37]2)[CH2:26][CH2:27]1.[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[CH3:51][C:52]#[N:53].[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[ClH:19].[ClH:20].[NH2:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6]([NH2:8])[cH:7]1>>[NH2:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6]([NH:8][C:33]([c:32]2[cH:31][c:30]([C:38]([F:39])([F:40])[F:41])[c:29]([CH2:28][N:25]3[CH2:24][CH2:23][N:22]([CH3:21])[CH2:27][CH2:26]3)[cH:37][cH:36]2)=[O:34])[cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-867b85c5488a4882b220da6a8d706c6c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…