반응식
[CH3:56][C:57](=[O:58])[CH3:59].[I:51][CH2:52][C:53](=[O:54])[NH2:55].[OH:1][CH:2]([CH3:3])[CH:4]1[CH:5]2[CH:6]([CH3:50])[C:7]([S:25][CH:26]3[CH2:27][CH:28]([CH2:44][N:45]4[CH2:46][CH2:47][CH2:48][CH2:49]4)[N:29]([C:31](=[O:32])[O:33][CH2:34][c:35]4[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]4)[CH2:30]3)=[C:8]([C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]3)[N:9]2[C:10]1=[O:11]>>[I-:51].[OH:1][CH:2]([CH3:3])[CH:4]1[CH:5]2[CH:6]([CH3:50])[C:7]([S:25][CH:26]3[CH2:27][CH:28]([CH2:44][N+:45]4([CH2:52][C:53](=[O:54])[NH2:55])[CH2:46][CH2:47][CH2:48][CH2:49]4)[N:29]([C:31](=[O:32])[O:33][CH2:34][c:35]4[cH:36][cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]4)[CH2:30]3)=[C:8]([C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]3)[N:9]2[C:10]1=[O:11]참가 물질
5
출처 및 근거
- ORD 기록
- ord-580f701b90f74f3fa8cb1cbc510f0dc4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…