Acetate → HCID 69231925, compound

HRID 2311327Notes

Reaction equation

HRID 2311327 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH2:31][NH:32][C:33](=[O:34])[O:35][CH:36]([CH3:37])[CH3:38])[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([Br:30])[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:39].[C:55]([P:56]([C:57]([CH3:58])([CH3:59])[CH3:60])[c:61]1[cH:62][cH:63][cH:64][cH:65][c:66]1-[c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)([CH3:73])([CH3:74])[CH3:75].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[K+:52].[K+:53].[K+:54].[O-:84][C:85]([CH3:86])=[O:87].[O-:88][C:89]([CH3:90])=[O:91].[OH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[P:47]([O-:48])([O-:49])([O-:50])=[O:51].[Pd+2:83]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH2:31][NH:32][C:33](=[O:34])[O:35][CH:36]([CH3:37])[CH3:38])[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([O:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:39]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 996PhenolHCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 58979029HCID 58979029, compound

Product 1

HCID 69231925HCID 69231925, compound

Sources & evidence

ORD record
ord-4237e974bdcc4ec3b2552a5f28e669ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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