반응식
[CH3:1][O:2][c:3]1[c:4]([CH2:11][C:12](=[O:13])[OH:14])[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:55][C:56]#[N:57].[CH:45]([O:46][CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:52][CH2:53][Cl:54].[ClH:15].[c:16]1([C:22]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:23][CH2:24][C:25](=[O:31])[CH:26]3[CH2:27][NH:28][CH2:29][CH:30]23)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:11][C:12](=[O:14])[N:28]2[CH2:27][CH:26]3[C:25](=[O:31])[CH2:24][CH2:23][C:22]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH:30]3[CH2:29]2)[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-887b5ff04b104c2193ef214c19fc6bb7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…