Acetate → 6-(3-methoxy-3-oxoprop-1-enyl)-3,4-dihydro-2H-chromene-2-carboxylic acid

HRID 1208278Notes

Reaction equation

HRID 1208278 reaction equation
[C:22]([CH:23]=[CH2:24])(=[O:25])[O:26][CH3:27].[CH3:15][N:16]1[CH2:17][CH2:18][CH2:19][C:20]1=[O:21].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[I:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([C:12](=[O:13])[OH:14])[CH2:6][CH2:5]2.[O-:36][C:37]([CH3:38])=[O:39].[O-:40][C:41]([CH3:42])=[O:43].[OH2:44].[Pd+2:35]>>[c:2]1([CH:24]=[CH:23][C:22](=[O:25])[O:26][CH3:27])[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([C:12](=[O:13])[OH:14])[CH2:6][CH2:5]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 7294Methyl AcrylateHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 221770696-Iodochroman-2-carboxylic acid

Product 1

HCID 699203456-(3-methoxy-3-oxoprop-1-enyl)-3,4-dihydro-2H-chromene-2-carboxylic acid

Sources & evidence

ORD record
ord-b38999285e414fed89cef0b1f59fa814
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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