Sodium ion → 4-(2-Pyridyl)benzonitrile

HRID 140341Notes

Reaction equation

HRID 140341 reaction equation
[BH:1]([OH:2])[OH:3].[Br:12][c:13]1[cH:14][cH:15][cH:16][cH:17][n:18]1.[C:4](#[N:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[CH3:25][C:26]#[N:27].[Na+:19].[Na+:20].[O-:21][C:22](=[O:23])[O-:24].[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104]1>>[C:4](#[N:5])[c:6]1[cH:7][cH:8][c:9](-[c:13]2[cH:14][cH:15][cH:16][cH:17][n:18]2)[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 7505BenzonitrileHCID 79732-BromopyridineHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 178420554HCID 178420554, compound

Product 1

HCID 15152384-(2-Pyridyl)benzonitrile

Sources & evidence

ORD record
ord-f33815490858469e8f7318119fb92b6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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