Phenol → 4-Phenoxybenzonitrile

HRID 1126500Notes

Reaction equation

HRID 1126500 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[C:17](=[O:18])([O-:19])[O-:20].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cs+:21].[Cs+:22].[OH:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[OH:23][C:24]([c:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34]1)=[O:35]>>[c:2]1([O:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 996PhenolHCID 1140TolueneHCID 68471-Naphthoic acidHCID 8857Ethyl AcetateHCID 12162Benzonitrile, 4-bromo-HCID 19660Carbonate IonHCID 104967Cesium cation2×

Product 1

HCID 1378214-Phenoxybenzonitrile

Sources & evidence

ORD record
ord-f9cc569897ae4dbca19c4667368c3f91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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