Hydrogen Peroxide → HCID 11976498, compound

HRID 142003Notes

Reaction equation

HRID 142003 reaction equation
[CH2:23]([N+:24]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[F:1][c:2]1[c:3]([C:9]2([C:12]#[N:13])[CH2:10][CH2:11]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Na+:15].[OH-:14].[OH:16][OH:17].[S:18]([O-:19])([OH:20])(=[O:21])=[O:22]>>[F:1][c:2]1[c:3]([C:9]2([C:12]([NH2:13])=[O:14])[CH2:10][CH2:11]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 149962871-(2,6-Difluorophenyl)cyclopropanecarbonitrile

Product 1

HCID 11976498HCID 11976498, compound

Sources & evidence

ORD record
ord-f2ebe5b326834b25b452c2be7b58b871
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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