Acetate → HCID 66662170, compound

HRID 150463Notes

Reaction equation

HRID 150463 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][CH2:15][C:16]([C:17]#[CH:18])([CH3:19])[CH3:20].[CH3:43][C:44]#[N:45].[Cu:55][I:56].[K+:5].[K+:6].[NH2:21][c:22]1[cH:23][c:24]([Br:42])[c:25]([NH:29][CH2:30][CH:31]([CH2:32][O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[OH:41])[cH:26][c:27]1[F:28].[Pd+2:50]>>[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][CH2:15][C:16]([C:17]#[C:18][c:24]1[cH:23][c:22]([NH2:21])[c:27]([F:28])[cH:26][c:25]1[NH:29][CH2:30][CH:31]([CH2:32][O:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[OH:41])([CH3:19])[CH3:20]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57488516[[(2,2-Dimethyl-3-butyn-1-yl)oxy]methyl]benzeneHCID 66662846HCID 66662846, compound

Product 1

HCID 66662170HCID 66662170, compound

Sources & evidence

ORD record
ord-b6961ea579914d8fba18a28db390b7d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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