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[Br:1][c:2]1[n:3][c:4]([CH3:17])[c:5]2[n:6]1[c:7]1[cH:8][c:9]([F:16])[cH:10][cH:11][c:12]1[n:13][c:14]2[CH3:15].[CH3:18][c:19]1[c:20]([B:25]([OH:26])[OH:27])[cH:21][cH:22][cH:23][cH:24]1.[K+:28].[K+:29].[O-:30][C:31]([O-:32])=[O:33].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([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)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[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)[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)[cH:109][cH:110]1>>[c:2]1(-[c:20]2[c:19]([CH3:18])[cH:24][cH:23][cH:22][cH:21]2)[n:3][c:4]([CH3:17])[c:5]2[n:6]1[c:7]1[cH:8][c:9]([F:16])[cH:10][cH:11][c:12]1[n:13][c:14]2[CH3:15]참가 물질
6
출처 및 근거
- ORD 기록
- ord-117ab0efa7aa4388b0da9cfb2bd7ee07
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…