Bicarbonate Ion → 2,8-Dimethyl-4-oxo-4H-1-benzopyran-5-carbonitrile

HRID 145469Notes

Reaction equation

HRID 145469 reaction equation
[C:19](=[O:20])([OH:21])[O-:22].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cu:24][C:25]#[N:26].[N:15]([O-:16])=[O:17].[NH2:1][c:2]1[c:3]2[c:4](=[O:14])[cH:5][c:6]([CH3:13])[o:7][c:8]2[c:9]([CH3:12])[cH:10][cH:11]1.[Na+:18].[Na+:23].[Na:27][C:28]#[N:29].[OH2:35].[S:30](=[O:31])(=[O:32])([OH:33])[OH:34]>>[c:2]1([C:25]#[N:26])[c:3]2[c:4](=[O:14])[cH:5][c:6]([CH3:13])[o:7][c:8]2[c:9]([CH3:12])[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 57438891HCID 57438891, compoundHCID 178418546HCID 178418546, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 578286402,8-Dimethyl-4-oxo-4H-1-benzopyran-5-carbonitrile

Sources & evidence

ORD record
ord-637157d7c7e7426e9d7cf7a7d0b9b470
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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