Ethylene Glycol → (5-[1,3]-Dioxolan-2-yl-benzofuran-2-yl)-(4-fluoro-phenyl)-methanone

HRID 96899Notes

Reaction equation

HRID 96899 reaction equation
[C:25]12([CH2:26][S:27]([OH:28])(=[O:29])=[O:30])[C:31]([CH3:32])([CH3:33])[CH:34]([CH2:35][CH2:36]1)[CH2:37][C:38]2=[O:39].[C:40](=[O:41])([OH:42])[O-:43].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[o:9][c:10]3[c:11]([cH:12]2)[cH:13][c:14]([CH:17]=[O:18])[cH:15][cH:16]3)[cH:19][cH:20]1.[Na+:44].[OH:21][CH2:22][CH2:23][OH:24]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[o:9][c:10]3[c:11]([cH:12]2)[cH:13][c:14]([CH:17]2[O:18][CH2:23][CH2:22][O:21]2)[cH:15][cH:16]3)[cH:19][cH:20]1

Participants

7

Reactant 6

HCID 174Ethylene GlycolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 27811012-(4-Fluorobenzoyl)-1-benzofuran-5-carbaldehyde

Product 1

HCID 68718080(5-[1,3]-Dioxolan-2-yl-benzofuran-2-yl)-(4-fluoro-phenyl)-methanone

Sources & evidence

ORD record
ord-14af0d32836c4b7ab9b6f11c4e880fb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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