Acetone → 2-cyano-7-(3-chloropropyloxy)-4-oxo-4H-1-benzopyran

HRID 1550819Notes

Reaction equation

HRID 1550819 reaction equation
[C:1](#[N:2])[c:3]1[o:4][c:5]2[c:6]([c:7](=[O:9])[cH:8]1)[cH:10][cH:11][c:12]([OH:14])[cH:13]2.[C:20](=[O:21])([O-:22])[O-:23].[CH3:26][C:27](=[O:28])[CH3:29].[Cl:15][CH2:16][CH2:17][CH2:18][Br:19].[K+:24].[K+:25]>>[C:1](#[N:2])[c:3]1[o:4][c:5]2[c:6]([c:7](=[O:9])[cH:8]1)[cH:10][cH:11][c:12]([O:14][CH2:18][CH2:17][CH2:16][Cl:15])[cH:13]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 80061-Bromo-3-chloropropaneHCID 19660Carbonate IonHCID 99899952-cyano-7-hydroxy-4-oxo-4H-1-benzopyran

Product 1

HCID 104228832-cyano-7-(3-chloropropyloxy)-4-oxo-4H-1-benzopyran

Sources & evidence

ORD record
ord-d50d823f7c4d48fab914b65bc6ba8f80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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