반응식
[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[cH:17][cH:18][c:19]([CH2:20][NH:21][CH2:22][CH2:23][c:24]2[cH:25][c:26]([Cl:31])[c:27]([Cl:30])[cH:28][cH:29]2)[cH:32][cH:33]1.[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([Cl:11])[cH:9][n:10]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[N:21]([CH2:20][c:19]2[cH:18][cH:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:33][cH:32]2)[CH2:22][CH2:23][c:24]2[cH:25][c:26]([Cl:31])[c:27]([Cl:30])[cH:28][cH:29]2)[cH:7][c:8]([Cl:11])[cH:9][n:10]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-43ea3c6de0f44bf788a145c97b631338
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…