4-Fluorobenzoic Acid → Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate

HRID 101663

Reaction equation

HRID 101663 reaction equation
[CH3:26][C:27]1([CH3:35])[O:28][C:29](=[O:34])[CH2:30][C:31](=[O:33])[O:32]1.[O:1]=[C:2]([c:3]1[s:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9]([O:10][CH2:11][CH3:12])=[O:13].[OH:36][C:37](=[O:38])[c:39]1[cH:40][cH:41][c:42]([F:43])[cH:44][cH:45]1.[s:14]1[cH:15][cH:16][cH:17][c:18]1-[c:19]1[cH:20][cH:21][n:22][c:23]([NH2:24])[n:25]1>>[CH2:27]([O:32][C:31]([CH2:30][C:29](=[O:34])[c:39]1[cH:40][cH:41][c:42]([F:43])[cH:44][cH:45]1)=[O:33])[CH3:35]

Participants

5

Reactant 4

HCID 99734-Fluorobenzoic AcidHCID 162492,2-Dimethyl-1,3-dioxane-4,6-dioneHCID 255159Ethyl 3-oxo-3-(thiophen-2-yl)propanoateHCID 27644074-(Thiophen-2-yl)pyrimidin-2-amine

Product 1

HCID 2758844Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate

Sources & evidence

ORD record
ord-daea2cfa86994580957f7b74986bad63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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