3-(Trifluoromethyl)aniline → HCID 24862990, compound
Reaction equation
[CH3:42][Si:43]([N-:44][Si:45]([CH3:46])([CH3:47])[CH3:48])([CH3:49])[CH3:50].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7](-[c:13]3[cH:14][c:15]4[cH:16][n:17][c:18]([NH:23][CH3:24])[n:19][c:20]4[cH:21][cH:22]3)[c:8]([CH3:12])[cH:9][cH:10][c:11]12.[F:25][C:26]([c:27]1[cH:28][c:29]([NH2:33])[cH:30][cH:31][cH:32]1)([F:34])[F:35].[Li+:51].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:58].[Pd:59]>>[c:2]1([NH:33][c:29]2[cH:28][c:27]([C:26]([F:25])([F:34])[F:35])[cH:32][cH:31][cH:30]2)[n:3][cH:4][cH:5][c:6]2[c:7](-[c:13]3[cH:14][c:15]4[cH:16][n:17][c:18]([NH:23][CH3:24])[n:19][c:20]4[cH:21][cH:22]3)[c:8]([CH3:12])[cH:9][cH:10][c:11]12Participants
9
Sources & evidence
- ORD record
- ord-b42b83b911d74808a5ef63001b162077
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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