Bromide ion → Methyl 2-(3-fluoro-4-(trifluoromethyl)benzyl)isonicotinate
Reaction equation
[Br-:12].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1.[ClH:26].[F:13][c:14]1[cH:15][c:16]([CH2:17][Zn+:18])[cH:19][cH:20][c:21]1[C:22]([F:23])([F:24])[F:25].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[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([CH2:17][c:16]2[cH:15][c:14]([F:13])[c:21]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:19]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1Participants
7
Sources & evidence
- ORD record
- ord-6f926509db014d84ab39677eed655607
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…