Sodium ion → 5-Bromo-2-pyridin-3-ylbenzonitrile

HRID 1122616Notes

Reaction equation

HRID 1122616 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([I:10])[c:6]([C:7]#[N:8])[cH:9]1.[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([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)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([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)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1.[n:11]1[cH:12][c:13]([O:17][B:18]([OH:19])[OH:20])[cH:14][cH:15][cH:16]1>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:13]2[cH:12][n:11][cH:16][cH:15][cH:14]2)[c:6]([C:7]#[N:8])[cH:9]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 70208745-Bromo-2-iodobenzonitrileHCID 184153773-Pyridylboric acidHCID 178420554HCID 178420554, compound

Product 1

HCID 669952315-Bromo-2-pyridin-3-ylbenzonitrile

Sources & evidence

ORD record
ord-234333f4c7f14a59990181190e2bf868
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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