Acetone → 4-Benzyloxy-7-(2-[4-fluorophenyl]ethoxy)coumarin

HRID 674119Notes

Reaction equation

HRID 674119 reaction equation
[Br:27][CH2:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:20])[o:12][c:13]2[cH:14][c:15]([OH:19])[cH:16][cH:17][c:18]12.[CH3:41][C:42](=[O:43])[CH3:44].[CH:37]([Cl:38])([Cl:39])[Cl:40].[K+:25].[K+:26]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:20])[o:12][c:13]2[cH:14][c:15]([O:19][CH2:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[cH:16][cH:17][c:18]12

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 6212ChloroformHCID 19660Carbonate IonHCID 5731534-Fluorophenethyl bromideHCID 134084074-Benzyloxy-7-hydroxycoumarin

Product 1

HCID 227513064-Benzyloxy-7-(2-[4-fluorophenyl]ethoxy)coumarin

Sources & evidence

ORD record
ord-033c40412ce04d8c9f3d55a60fd0040b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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