Water → 8-Methyl-6-(4-trifluoromethyl-phenyl)-imidazo[1,2-a]pyridine
반응식
[Br:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]2[n:6]([cH:7]1)[cH:8][cH:9][n:10]2.[CH3:25][O:26][CH2:27][CH2:28][O:29][CH3:30].[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1)([F:23])[F:24].[OH2:31].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108]1>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[cH:19][cH:18]2)[cH:3][c:4]([CH3:11])[c:5]2[n:6]([cH:7]1)[cH:8][cH:9][n:10]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-6f5380e63fd64647a4b2aea527f36a43
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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