반응식
[B-:28]([F:29])([F:30])([F:31])[F:32].[CH3:1][c:2]1[c:3]([C:13](=[O:14])[OH:15])[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58].[NH:16]1[CH:17]([CH2:21][c:22]2[cH:23][n:24][cH:25][cH:26][cH:27]2)[CH2:18][CH2:19][CH2:20]1.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][c:2]1[c:3]([C:13](=[O:15])[N:16]2[CH:17]([CH2:21][c:22]3[cH:23][n:24][cH:25][cH:26][cH:27]3)[CH2:18][CH2:19][CH2:20]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-24b5449d58464bd9979719a5b6d20698
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…