Bicarbonate Ion → (3-Bromo-quinolin-6-yloxy)-methylsulfanyl-acetic acid methyl ester

HRID 2312204Notes

Reaction equation

HRID 2312204 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([OH:12])[cH:9][c:10]2[cH:11]1.[C:21](=[O:22])([O-:23])[O-:24].[C:27](=[O:28])([O-:29])[OH:30].[CH3:13][O:14][C:15]([CH:16]([S:17][CH3:18])[Cl:19])=[O:20].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[K+:25].[K+:26].[Na+:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[Br:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([O:12][CH:16]([C:15]([O:14][CH3:13])=[O:20])[S:17][CH3:18])[cH:9][c:10]2[cH:11]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 13062663Methyl chloro(methylsulfanyl)acetateHCID 148078713-Bromoquinolin-6-ol

Product 1

HCID 59565456(3-Bromo-quinolin-6-yloxy)-methylsulfanyl-acetic acid methyl ester

Sources & evidence

ORD record
ord-36c091acdddf4a7689ec2ef890eb9fc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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