Acetic Acid → 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid

HRID 2124833Notes

Reaction equation

HRID 2124833 reaction equation
[C:1]([CH2:2][c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9](=[O:21])[cH:10][c:11](-[c:14]3[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]3)[o:12][c:13]12)#[N:3].[CH3:22][C:23]([OH:24])=[O:25].[OH2:31].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[c:4]1([CH2:22][C:23]([OH:24])=[O:25])[cH:5][cH:6][cH:7][c:8]2[c:9](=[O:21])[cH:10][c:11](-[c:14]3[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]3)[o:12][c:13]12

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 197416598-cyanomethyl-2-(3-fluorophenyl)-4H-benzopyran-4-one

Product 1

HCID 97962724-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid

Sources & evidence

ORD record
ord-c7d8573c695448208b57fe401f37ce0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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