Acetate → HCID 53412322, compound

HRID 162278Notes

Reaction equation

HRID 162278 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[C:35](=[O:36])([OH:37])[O-:38].[CH3:10][O:11][C:12]([CH:13]=[CH2:14])=[O:15].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Na+:39].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[Pd+2:45].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([CH:14]=[CH:13][C:12]([O:11][CH3:10])=[O:15])[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 12162Benzonitrile, 4-bromo-HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 53412322HCID 53412322, compound

Sources & evidence

ORD record
ord-25ce086e72504c9984718a51f35746e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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