Acetate → HCID 178453372, compound

HRID 1152434Notes

Reaction equation

HRID 1152434 reaction equation
[Br:21][c:22]1[cH:23][cH:24][c:25]([I:28])[cH:26][cH:27]1.[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[CH:1]1([O:6][C:7]([CH:8]([CH2:9][CH:10]=[CH2:11])[NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:2][CH2:3][CH2:4][CH2:5]1.[I-:36].[N:34]#[N:35].[Na+:33].[O-:29][C:30]([OH:31])=[O:32].[Pd+2:61]>>[CH:1]1([O:6][C:7]([CH:8]([CH2:9][CH:10]=[CH:11][c:25]2[cH:24][cH:23][c:22]([Br:21])[cH:27][cH:26]2)[NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 947NitrogenHCID 6342AcetonitrileHCID 115221-Bromo-4-iodobenzeneHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 76687591HCID 76687591, compound

Product 1

HCID 178453372HCID 178453372, compound

Sources & evidence

ORD record
ord-d9273a7f12dd4887885844abb8fbec5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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