Dimethyl Sulfoxide → Methyl 4-(4-(2-tert-butoxy-2-oxoethyl)-2-cyanophenoxy)benzoate

HRID 159037Notes

Reaction equation

HRID 159037 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:6][cH:7][c:8]1[F:9].[CH3:35][S:36]([CH3:37])=[O:38].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[K+:29].[K+:30].[Na+:45].[Na+:46].[O-:31][C:32]([O-:33])=[O:34].[O-:47][C:48](=[O:49])[O-:50].[OH:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:6][cH:7][c:8]1[O:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 7456MethylparabenHCID 8857Ethyl AcetateHCID 19660Carbonate Ion2×HCID 45925946Tert-butyl 2-(3-cyano-4-fluorophenyl)acetate

Product 1

HCID 68466372Methyl 4-(4-(2-tert-butoxy-2-oxoethyl)-2-cyanophenoxy)benzoate

Sources & evidence

ORD record
ord-4164a87bedc64a3bbc4e66d5f529a791
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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