Sodium ion → 3-(4,4-Dimethyl-2-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluoro-benzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[C:7]([CH3:15])([CH3:16])[O:8][CH:9]([C:11]([F:12])([F:13])[F:14])[NH:10]2.[C:18](#[N:19])[c:20]1[cH:21][c:22]([B:27]([OH:28])[OH:29])[cH:23][c:24]([F:26])[cH:25]1.[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:42].[Pd:43].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1(-[c:22]2[cH:21][c:20]([C:18]#[N:19])[cH:25][c:24]([F:26])[cH:23]2)[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[C:7]([CH3:15])([CH3:16])[O:8][CH:9]([C:11]([F:12])([F:13])[F:14])[NH:10]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-8beabf091ca74d59b3b93e9732d74e27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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