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[CH3:42][N:43]([c:44]1[cH:45][cH:46][c:47]([N:50]=[C:51]=[O:52])[cH:48][cH:49]1)[CH3:53].[Cl:54][CH2:55][Cl:56].[NH2:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([c:11]1[c:12]3[n:13][cH:14][n:15]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:16]3[n:17][c:18]([NH:20][CH:21]3[CH2:22][CH2:23][CH:24]([NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:25][CH2:26]3)[n:19]1)[CH2:6][CH2:5]2.[OH2:57]>>[NH:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([c:11]1[c:12]3[n:13][cH:14][n:15]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:16]3[n:17][c:18]([NH:20][CH:21]3[CH2:22][CH2:23][CH:24]([NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:25][CH2:26]3)[n:19]1)[CH2:6][CH2:5]2)[C:51]([NH:50][c:47]1[cH:46][cH:45][c:44]([N:43]([CH3:42])[CH3:53])[cH:49][cH:48]1)=[O:52]참가 물질
5
출처 및 근거
- ORD 기록
- ord-76884e8174064a5aa6a1d25d326a1fc5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…