Dimethyl Sulfoxide → 4-(3-bromophenyl)oxane-4-carbonitrile

HRID 2337448Notes

Reaction equation

HRID 2337448 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:8][C:9]#[N:10])[cH:5][cH:6][cH:7]1.[CH2:29]([N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:18][CH2:19][O:20][C:21](=[O:22])[CH3:23].[CH3:46][S:47]([CH3:48])=[O:49].[Na+:17].[O:11]1[CH2:12][CH2:13][CH2:14][CH2:15]1.[OH-:16].[S:24]([O-:25])([OH:26])(=[O:27])=[O:28]>>[Br:1][c:2]1[cH:3][c:4]([C:8]2([C:9]#[N:10])[CH2:13][CH2:12][O:11][CH2:15][CH2:14]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 36023(3-Bromophenyl)acetonitrileHCID 61778Sulfate, hydrogen

Product 1

HCID 114597874-(3-bromophenyl)oxane-4-carbonitrile

Sources & evidence

ORD record
ord-f559644ee8b14122aab122ede07b8590
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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