Sodium ion → 3-(4-bromophenyl)benzonitrile

HRID 696354Notes

Reaction equation

HRID 696354 reaction equation
[Br:12][c:13]1[cH:14][cH:15][c:16]([I:19])[cH:17][cH:18]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([B:9]([OH:10])[OH:11])[cH:6][cH:7][cH:8]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:16]2[cH:15][cH:14][c:13]([Br:12])[cH:18][cH:17]2)[cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 115221-Bromo-4-iodobenzeneHCID 19660Carbonate IonHCID 27343253-Cyanophenylboronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 13938513-(4-bromophenyl)benzonitrile

Sources & evidence

ORD record
ord-4ab1025b9a7040aeb710d268f375cc03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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