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[Br:1][c:2]1[c:3]([O:12][CH3:13])[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH3:24][CH2:25][OH:26].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[F:14][c:15]1[c:16]([B:21]([OH:22])[OH:23])[cH:17][cH:18][cH:19][cH:20]1.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([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)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:16]2[c:15]([F:14])[cH:20][cH:19][cH:18][cH:17]2)[c:3]([O:12][CH3:13])[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12참가 물질
8
출처 및 근거
- ORD 기록
- ord-f33b31e7381e4b149ef26a93c24125bb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…