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[Br:1][c:2]1[n:3][c:4]([Br:8])[cH:5][cH:6][cH:7]1.[CH3:9][C:10]1([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15][B:16]([c:17]2[c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23][cH:24]2)[O:25]1.[K+:31].[K+:32].[K+:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[P:26]([O-:27])([O-:28])([O-:29])=[O:30].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1(-[c:17]2[c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23][cH:24]2)[n:3][c:4]([Br:8])[cH:5][cH:6][cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-0157302cdbc2432583c87b83c5486283
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…