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[CH3:21][O:22][c:23]1[n:24][cH:25][c:26]([CH:29]([CH3:30])[NH2:31])[cH:27][n:28]1.[CH3:41][C:42]#[N:43].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[Cl:18])[CH2:19][CH2:20]2)[c:6]([C:7]#[N:8])[cH:9]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:31][CH:29]([c:26]3[cH:25][n:24][c:23]([O:22][CH3:21])[n:28][cH:27]3)[CH3:30])[CH2:19][CH2:20]2)[c:6]([C:7]#[N:8])[cH:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-b55d1c54bcb349eaac45f3c69a003ce7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…