반응식
[C:12]([n:13]1[cH:14][cH:15][n:16][cH:17]1)([n:18]1[cH:19][cH:20][n:21][cH:22]1)=[O:23].[CH3:29][O:30][c:31]1[cH:32][cH:33][c:34]([N:37]2[CH2:38][CH2:39][CH:40]([NH2:43])[CH2:41][CH2:42]2)[cH:35][cH:36]1.[O:24]=[CH:25][N:26]([CH3:27])[CH3:28].[OH2:44].[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[OH:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][C:9](=[O:11])[NH:43][CH:40]2[CH2:39][CH2:38][N:37]([c:34]3[cH:33][cH:32][c:31]([O:30][CH3:29])[cH:36][cH:35]3)[CH2:42][CH2:41]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-b6cc4a45384843d482a2f2d902e517dc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…