Ethanol → 2-Methyl-5-(4-trifluoromethyl-phenyl)-pyrimidine
Reaction equation
[Br:7][c:8]1[cH:9][n:10][c:11]([CH3:14])[n:12][cH:13]1.[CH3:28][CH2:29][OH:30].[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[F:15][C:16]([c:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1)([F:26])[F:27].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:31].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([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)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([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)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:8]1(-[c:20]2[cH:19][cH:18][c:17]([C:16]([F:15])([F:26])[F:27])[cH:22][cH:21]2)[cH:9][n:10][c:11]([CH3:14])[n:12][cH:13]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-ca280c07cb04410796464e59439c83ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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