Water → 2,2-Diethyl-2h-chromene-6-carbonitrile

HRID 144223Notes

Reaction equation

HRID 144223 reaction equation
[CH2:1]([CH3:2])[C:3]1([CH2:16][CH3:17])[O:4][c:5]2[c:6]([cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[CH:7]([OH:9])[CH2:8]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[OH2:18].[OH2:30].[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1>>[CH2:1]([CH3:2])[C:3]1([CH2:16][CH3:17])[O:4][c:5]2[c:6]([cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[CH:7]=[CH:8]1

Participants

6

Reactant 5

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 147211782,2-diethyl-3,4-dihydro-4-hydroxy-2H-1-benzopyran-6-carbonitrile

Product 1

HCID 147211802,2-Diethyl-2h-chromene-6-carbonitrile

Sources & evidence

ORD record
ord-8f53f57f339f4301b9488e3575c31c7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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