Potassium Cation → 5-[4-amino-3-(trifluoromethoxy)phenyl]-1-methyl-1H-pyrrole-2-carbonitrile

HRID 288791Notes

Reaction equation

HRID 288791 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:9][C:10]([F:11])([F:12])[F:13])[c:5]([NH2:6])[cH:7][cH:8]1.[C:14](#[N:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[n:20]1[CH3:21].[C:27]([P:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])([CH3:37])([CH3:38])[CH3:39].[F-:25].[K+:26].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]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.[Pd:40].[Pd:41]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([C:14]#[N:15])[n:20]2[CH3:21])[cH:3][c:4]([O:9][C:10]([F:11])([F:12])[F:13])[c:5]([NH2:6])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 23938Palladium2×HCID 28179Fluoride IonHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 95417Dibenzylidene acetone3×HCID 7373824-Bromo-2-(trifluoromethoxy)anilineHCID 11708078(5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acid

Product 1

HCID 160505285-[4-amino-3-(trifluoromethoxy)phenyl]-1-methyl-1H-pyrrole-2-carbonitrile

Sources & evidence

ORD record
ord-4d59c181d6354b4793bbd136ab6c7260
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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