Acetate → 3-[2-(2-Bromo-5-fluoro-phenoxymethyl)-phenyl]-acrylic acid ethyl ester

HRID 673583Notes

Reaction equation

HRID 673583 reaction equation
[Br-:31].[Br:1][c:2]1[c:3]([O:9][CH2:10][c:11]2[c:12]([I:17])[cH:13][cH:14][cH:15][cH:16]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[C:23]([CH:24]=[CH2:25])(=[O:26])[O:27][CH2:28][CH3:29].[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:19][C:20](=[O:21])[O-:22].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:71][O:72][C:73]([CH3:74])([CH3:75])[CH3:76].[Na+:18].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:30].[Pd+2:56]>>[Br:1][c:2]1[c:3]([O:9][CH2:10][c:11]2[c:12]([CH:25]=[CH:24][C:23](=[O:26])[O:27][CH2:28][CH3:29])[cH:13][cH:14][cH:15][cH:16]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

12

Reactant 11

HCID 175Acetate3×HCID 259Bromide ionHCID 923Sodium ionHCID 962WaterHCID 8821Ethyl AcrylateHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 15413tert-Butyl methyl etherHCID 16028TetrabutylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 585644251-Bromo-4-fluoro-2-(2-iodo-benzyloxy)-benzene

Product 1

HCID 671334433-[2-(2-Bromo-5-fluoro-phenoxymethyl)-phenyl]-acrylic acid ethyl ester

Sources & evidence

ORD record
ord-ccbd9f5dc3fd4555aa9c964f6a4a9b0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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