Acetate → HCID 12020642, compound

HRID 1223882Notes

Reaction equation

HRID 1223882 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([N:8]2[CH:9]([c:21]3[cH:22][cH:23][c:24]4[c:25]([cH:29]3)[CH2:26][CH2:27][O:28]4)[c:10]3[nH:11][c:12]4[cH:13][cH:14][cH:15][cH:16][c:17]4[c:18]3[CH2:19][CH2:20]2)[n:6][cH:7]1.[CH3:30][n:31]1[c:32]([CH3:36])[n:33][cH:34][cH:35]1.[K+:56].[K+:57].[Na+:63].[O-:58][C:59]([O-:60])=[O:61].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH-:62].[Pd+2:69].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:2]1(-[c:35]2[n:31]([CH3:30])[c:32]([CH3:36])[n:33][cH:34]2)[cH:3][n:4][c:5]([N:8]2[CH:9]([c:21]3[cH:22][cH:23][c:24]4[c:25]([cH:29]3)[CH2:26][CH2:27][O:28]4)[c:10]3[nH:11][c:12]4[cH:13][cH:14][cH:15][cH:16][c:17]4[c:18]3[CH2:19][CH2:20]2)[n:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 156171,2-DimethylimidazoleHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11259399HCID 11259399, compound

Product 1

HCID 12020642HCID 12020642, compound

Sources & evidence

ORD record
ord-4246942597bb4cd2b13eee163919f46a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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