Acetic Acid → Ethyl 3-(2,4-difluorophenyl)prop-2-enoate

HRID 2326288Notes

Reaction equation

HRID 2326288 reaction equation
[C:19]([CH:20]=[CH2:21])(=[O:22])[O:23][CH2:24][CH3:25].[CH3:26][C:27](=[O:28])[OH:29].[F:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([F:9])[cH:8]1.[N:15]([O-:16])=[O:17].[Na+:18].[OH2:30].[Pd:67].[S:10](=[O:11])(=[O:12])([OH:13])[OH:14].[c:31]1([CH:32]=[CH:33][C:34](=[O:35])[CH:36]=[CH:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([CH:50]=[CH:51][C:52](=[O:53])[CH:54]=[CH:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[F:1][c:2]1[c:3]([CH:21]=[CH:20][C:19](=[O:22])[O:23][CH2:24][CH3:25])[cH:5][cH:6][c:7]([F:9])[cH:8]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 8821Ethyl AcrylateHCID 97092,4-DifluoroanilineHCID 23938PalladiumHCID 95417Dibenzylidene acetone2×

Product 1

HCID 53395691Ethyl 3-(2,4-difluorophenyl)prop-2-enoate

Sources & evidence

ORD record
ord-7d5df7420bb646f1bc078bc556e987b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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