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[CH3:32][NH:33][C:34]([CH2:35][Cl:36])=[O:37].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](-[c:18]3[n:19][o:20][c:21]([CH2:23][N:24]4[CH2:25][CH:26]([CH2:30][OH:31])[NH:27][CH2:28][CH2:29]4)[n:22]3)[cH:8][n:9]([CH2:11][CH:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]12.[I-:48].[Na+:47]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](-[c:18]3[n:19][o:20][c:21]([CH2:23][N:24]4[CH2:25][CH:26]([CH2:30][OH:31])[N:27]([CH2:35][C:34]([NH:33][CH3:32])=[O:37])[CH2:28][CH2:29]4)[n:22]3)[cH:8][n:9]([CH2:11][CH:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]12참가 물질
7
출처 및 근거
- ORD 기록
- ord-e08a515874ff4376b34f6d463cc60fcc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…