Acetate → HCID 59856805, compound

HRID 1132925Notes

Reaction equation

HRID 1132925 reaction equation
[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH3:61][C:62]([CH3:63])([O-:64])[CH3:65].[CH:19]([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][CH:28]([O:31][c:32]2[n:33][cH:34][n:35][c:36]([Cl:39])[c:37]2[CH3:38])[CH2:29][CH2:30]1.[NH2:1][c:2]1[c:3]([F:18])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][CH2:13][O:14][CH:15]([CH3:16])[CH3:17])[cH:6][cH:7]1.[Na+:66].[O:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1.[Pd+2:77].[c:40]1(-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][c:51]1[P:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60]>>[NH:1]([c:2]1[c:3]([F:18])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][CH2:13][O:14][CH:15]([CH3:16])[CH3:17])[cH:6][cH:7]1)[c:36]1[n:35][cH:34][n:33][c:32]([O:31][CH:28]2[CH2:27][CH2:26][N:25]([C:23]([O:22][CH:19]([CH3:20])[CH3:21])=[O:24])[CH2:30][CH2:29]2)[c:37]1[CH3:38]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 114933574-(6-Chloro-5-methyl-pyrimidin-4-yloxy)-piperidine-1-carboxylic acid isopropyl esterHCID 67202441HCID 67202441, compound

Product 1

HCID 59856805HCID 59856805, compound

Sources & evidence

ORD record
ord-c37e0bf35d6e47389fccfe2055500bac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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