반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH2:26]([O:27][C:28]([Cl:29])=[O:30])[CH:31]([CH3:32])[CH3:33].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[NH2:34][CH:35]1[CH:36]2[N:37]([CH:38]([C:44](=[O:45])[OH:46])[C:39]([CH3:42])([Cl:43])[CH2:40][S:41]2)[C:47]1=[O:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[NH:34][CH:35]1[CH:36]2[N:37]([CH:38]([C:44](=[O:45])[OH:46])[C:39]([CH3:42])([Cl:43])[CH2:40][S:41]2)[C:47]1=[O:48])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-a2f713ea26e549ea90b28386874b263a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…