반응식
[Br:2][CH2:3][CH2:4][NH2:5].[BrH:1].[CH2:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[NH:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[Cl:36])[cH:37][cH:38]1.[CH3:39][N:40]([CH3:41])[c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:6][O:7][CH2:8][CH2:9][O:10][CH3:11].[ClH:12]>>[CH2:3]1[CH2:4][N:5]=[C:34]([c:33]2[cH:32][cH:31][c:30]([NH:29][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:38][cH:37]2)[O:35]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-d34d0e28781b402f984763e4f4f292c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…