Acetate → ethyl 6-(3-amino-3-oxoprop-1-enyl)-8-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate

HRID 203485Notes

Reaction equation

HRID 203485 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[O:8][CH:7]([C:13]([F:14])([F:15])[F:16])[C:6]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[CH:5]2.[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH2:63]([O:64][C:65](=[O:66])[CH3:67])[CH3:68].[CH3:45][C:46](=[O:47])[O-:48].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[NH2:49][C:50](=[O:51])[CH:52]=[CH2:53].[Na+:44].[Pd+2:58].[c:22]1([CH3:23])[cH:24][cH:25][cH:26][cH:27][c:28]1[P:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][c:35]1[CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[CH3:43]>>[c:2]1([CH:53]=[CH:52][C:50]([NH2:49])=[O:51])[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[O:8][CH:7]([C:13]([F:14])([F:15])[F:16])[C:6]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[CH:5]2

Participants

9

Reactant 8

HCID 175Acetate3×HCID 923Sodium ionHCID 6228DimethylformamideHCID 6579AcrylamideHCID 8857Ethyl AcetateHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 58935022ethyl 6-bromo-8-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Product 1

HCID 69518490ethyl 6-(3-amino-3-oxoprop-1-enyl)-8-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Sources & evidence

ORD record
ord-11194f03379a4a4488af6ae14daa7c38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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