Acetate → HCID 178427237, compound

HRID 2133620Notes

Reaction equation

HRID 2133620 reaction equation
[C:42]([O-:43])([O-:44])=[O:45].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[I:1][c:2]1[cH:3][c:4]([CH3:40])[c:5]([NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[cH:6][c:7]1[CH3:8].[K+:46].[K+:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:41].[Pd+2:57]>>[c:2]1([C:42](=[O:43])[OH:44])[cH:3][c:4]([CH3:40])[c:5]([NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[cH:6][c:7]1[CH3:8]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 72243917HCID 72243917, compound

Product 1

HCID 178427237HCID 178427237, compound

Sources & evidence

ORD record
ord-cac797f465a7451e91f7691100f4bf7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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