반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[n:24][n:25][c:26]([N:33]2[CH2:34][CH:35]([CH3:39])[NH:36][CH2:37][CH2:38]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12.[Cl:7][c:8]1[n:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1.[Na+:5].[Na+:6].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[c:8]1([N:36]2[CH:35]([CH3:39])[CH2:34][N:33]([c:26]3[n:25][n:24][c:23]([CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[c:32]4[c:27]3[cH:28][cH:29][cH:30][cH:31]4)[CH2:38][CH2:37]2)[n:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-bd92508e7ab54f92ad88717fb1f7e955
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…