Potassium Cation → Pentyl 4-(3,4-dicyanophenoxy)benzoate

HRID 2124111

Reaction equation

HRID 2124111 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[K+:33].[K+:34].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([C:12]#[N:13])[c:7]([C:8]#[N:9])[cH:10][cH:11]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:46].[OH:14][c:15]1[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:27][cH:28]1>>[c:4]1([O:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:27][cH:28]2)[cH:5][c:6]([C:12]#[N:13])[c:7]([C:8]#[N:9])[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23019Pentyl 4-hydroxybenzoateHCID 974431,2-Benzenedicarbonitrile, 4-nitro-

Product 1

HCID 68981262Pentyl 4-(3,4-dicyanophenoxy)benzoate

Sources & evidence

ORD record
ord-9146ca18e1104aa0aab307ab3c7ff678
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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