반응식
[C:1]([CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])(=[O:21])[OH:22].[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:40][O:41][C:42]([CH:43]([NH2:44])[CH2:45][c:46]1[cH:47][cH:48][c:49]([OH:52])[cH:50][cH:51]1)=[O:53].[CH3:55][C:56]#[N:57].[CH3:58][OH:59].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl:23][C:24]([O:25][CH2:26][CH2:27][CH2:28][CH3:29])=[O:30].[ClH:31].[ClH:39].[ClH:54]>>[C:1]([CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])(=[O:22])[NH:44][CH:43]([C:42]([O:41][CH3:40])=[O:53])[CH2:45][c:46]1[cH:47][cH:48][c:49]([OH:52])[cH:50][cH:51]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-e522769db01c479d809cdd620b73cd8a
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
연결된 노트
불러오는 중…