Acetate → Methyl 6-[3-(dimethylamino)-3-oxoprop-1-enyl]-2,2-diphenyl-1,3-benzodioxole-4-carboxylate

HRID 1225652Notes

Reaction equation

HRID 1225652 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:23](=[O:24])[O:25][CH3:26])[c:5]2[c:6]([cH:22]1)[O:7][C:8]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:9]2.[C:34](=[O:35])([O-:36])[O-:37].[CH3:27][N:28]([C:29]([CH:30]=[CH2:31])=[O:32])[CH3:33].[CH3:40][C:41]([N:42]([CH3:43])[CH3:44])=[O:45].[Na+:38].[Na+:39].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[Pd+2:46]>>[c:2]1([CH:31]=[CH:30][C:29]([N:28]([CH3:27])[CH3:33])=[O:32])[cH:3][c:4]([C:23](=[O:24])[O:25][CH3:26])[c:5]2[c:6]([cH:22]1)[O:7][C:8]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:9]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 17587N,N-DimethylacrylamideHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59642990Methyl 6-bromo-2,2-diphenyl-1,3-benzodioxole-4-carboxylate

Product 1

HCID 69223918Methyl 6-[3-(dimethylamino)-3-oxoprop-1-enyl]-2,2-diphenyl-1,3-benzodioxole-4-carboxylate

Sources & evidence

ORD record
ord-d5efa2c722d042fb8525cfd5b1fdb5b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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