Acetate → Acetate

HRID 2134802Notes

Reaction equation

HRID 2134802 reaction equation
[Br:32][c:33]1[cH:34][cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40]1.[C:1]([CH3:2])(=[O:3])[O-:4].[C:6]([CH3:7])(=[O:8])[O-:9].[CH2:41]=[CH:42][C:43]#[N:44].[CH3:46][C:47](=[O:48])[O-:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Na+:45].[OH2:55].[Pd+2:5].[c:10]1([CH3:31])[c:11]([P:16]([c:17]2[c:18]([CH3:23])[cH:19][cH:20][cH:21][cH:22]2)[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:12][cH:13][cH:14][cH:15]1>>[C:1]([CH3:2])(=[O:3])[O-:4].[C:6]([CH3:7])(=[O:8])[O-:9].[Pd+2:5].[c:10]1([CH3:31])[c:11]([P:16]([c:17]2[c:18]([CH3:23])[cH:19][cH:20][cH:21][cH:22]2)[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:12][cH:13][cH:14][cH:15]1.[c:33]1([CH:41]=[CH:42][C:43]#[N:44])[cH:34][cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40]1

Participants

12

Reactant 8

HCID 175Acetate3×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 7855AcrylonitrileHCID 707414-BromobenzaldehydeHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 4

HCID 175Acetate2×HCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 54377318HCID 54377318, compound

Sources & evidence

ORD record
ord-1a43f204ee30466ba40a6b9825057687
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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