Sodium ion → 5-Bromo-2-[4-(trifluoromethoxy)phenyl]pyrimidine
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([I:8])[n:6][cH:7]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[F:9][C:10]([O:11][c:12]1[cH:13][cH:14][c:15]([B:18]([OH:19])[OH:20])[cH:16][cH:17]1)([F:21])[F:22].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:29].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[Br:1][c:2]1[cH:3][n:4][c:5](-[c:15]2[cH:14][cH:13][c:12]([O:11][C:10]([F:9])([F:21])[F:22])[cH:17][cH:16]2)[n:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-7e59f58a3af041569cdeeec045f1b154
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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