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[Br:15][c:16]1[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][cH:23]1.[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[CH2:10]([Li:11])[CH2:12][CH2:13][CH3:14].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[Cl-:35].[Cl-:37].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[Pd:38].[Zn+2:36].[c:39]1([P:40]([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)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([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)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([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)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[c:2]1(-[c:16]2[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][cH:23]2)[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1참가 물질
10
출처 및 근거
- ORD 기록
- ord-38f326c3d15c445bbbc6ab47a6cfa839
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…