반응식
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7](=[O:18])[n:8]([CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:9]2[cH:10][cH:11]1.[C-:19]#[N:20].[CH3:21][CH2:22][O:23][C:24](=[O:25])[CH3:26].[OH2:27].[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104]1>>[c:2]1([C:19]#[N:20])[cH:3][c:4]2[cH:5][cH:6][c:7](=[O:18])[n:8]([CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:9]2[cH:10][cH:11]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a2ed8364549b4836a1c9b928f023d0fa
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…