Potassium Cation → [4-(5-Cyano-1-methyl-1H-pyrrol-2-yl)-2-methylphenyl]cyanamide

HRID 2132308Notes

Reaction equation

HRID 2132308 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([NH:8][C:9]#[N:10])[cH:6][cH:7]1.[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[CH2:30]([O:31][C:32](=[O:33])[CH3:34])[CH3:35].[CH3:12][n:13]1[c:14]([B:20]([OH:21])[OH:22])[cH:15][cH:16][c:17]1[C:18]#[N:19].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[F-:23].[K+:24].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43]>>[c:2]1(-[c:14]2[n:13]([CH3:12])[c:17]([C:18]#[N:19])[cH:16][cH:15]2)[cH:3][c:4]([CH3:11])[c:5]([NH:8][C:9]#[N:10])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 28179Fluoride IonHCID 95417Dibenzylidene acetone3×HCID 11708078(5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acidHCID 62482653(4-Bromo-2-methylphenyl)cyanamide

Product 1

HCID 16037553[4-(5-Cyano-1-methyl-1H-pyrrol-2-yl)-2-methylphenyl]cyanamide

Sources & evidence

ORD record
ord-17a5d371f8a3455384ee0281bd0e5ca1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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