Chloride → 5,7-Dihydroxy-8-propionyl-4-propyl-2H-chromen-2-one

HRID 206367

Reaction equation

HRID 206367 reaction equation
[Al+3:18].[C:30]([CH2:31][CH3:32])(=[O:33])[Cl:34].[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[Cl-:17].[Cl-:19].[Cl-:20].[O-:21][N+:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29].[OH:1][c:2]1[c:3]2[c:4]([CH2:14][CH2:15][CH3:16])[cH:5][c:6](=[O:13])[o:7][c:8]2[cH:9][c:10]([OH:12])[cH:11]1.[S:35]=[C:36]=[S:37]>>[OH:1][c:2]1[c:3]2[c:4]([CH2:14][CH2:15][CH3:16])[cH:5][c:6](=[O:13])[o:7][c:8]2[c:9]([C:30]([CH2:31][CH3:32])=[O:33])[c:10]([OH:12])[cH:11]1

Participants

9

Reactant 8

HCID 312Chloride3×HCID 6348Carbon DisulfideHCID 7416NitrobenzeneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 62324Propionyl chlorideHCID 104727Aluminum CationHCID 53912605,7-Dihydroxy-4-propylcoumarin

Product 1

HCID 54948785,7-Dihydroxy-8-propionyl-4-propyl-2H-chromen-2-one

Sources & evidence

ORD record
ord-7f9458e2dedc4f4cace4b702ce9d53c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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