Water → 4-Chloro-2-(4-formyl-2-methoxy-phenoxy)-benzonitrile

HRID 116703

Reaction equation

HRID 116703 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[Cl:1][c:2]1[cH:3][c:4]([F:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[Cs+:26].[Cs+:27].[O:11]=[CH:12][c:13]1[cH:14][c:15]([O:16][CH3:17])[c:18]([OH:19])[cH:20][cH:21]1.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[OH2:28]>>[Cl:1][c:2]1[cH:3][c:4]([O:19][c:18]2[c:15]([O:16][CH3:17])[cH:14][c:13]([CH:12]=[O:11])[cH:21][cH:20]2)[c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 962WaterHCID 1183VanillinHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 936554-Chloro-2-fluorobenzonitrileHCID 104967Cesium cation2×

Product 1

HCID 219303704-Chloro-2-(4-formyl-2-methoxy-phenoxy)-benzonitrile

Sources & evidence

ORD record
ord-512bd93f27d04f7fa54f477e37e5f4f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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