Acetate → HCID 58525656, compound

HRID 1545930Notes

Reaction equation

HRID 1545930 reaction equation
[Br:49][c:50]1[c:51]([CH3:68])[n:52]([CH2:62][c:63]2[o:64][cH:65][cH:66][n:67]2)[c:53](=[O:61])[c:54]2[c:55]([F:60])[cH:56][cH:57][cH:58][c:59]12.[C:84]=[O:85].[C:86]([O-:87])(=[O:88])[CH3:89].[C:91]([O-:92])(=[O:93])[CH3:94].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Na+:43].[Na+:44].[O-:45][C:46]([O-:47])=[O:48].[OH:69][CH2:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[Pd+2:90].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[c:10]3[c:34]([cH:35][cH:36][cH:37]2)[C:31]([CH3:32])([CH3:33])[c:13]2[c:12]([c:17]([P:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:16][cH:15][cH:14]2)[O:11]3)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[OH:45][C:46](=[O:48])[c:50]1[c:51]([CH3:68])[n:52]([CH2:62][c:63]2[o:64][cH:65][cH:66][n:67]2)[c:53](=[O:61])[c:54]2[c:55]([F:60])[cH:56][cH:57][cH:58][c:59]12

Participants

10

Reactant 9

HCID 175Acetate2×HCID 244Benzyl AlcoholHCID 712FormaldehydeHCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 58525647HCID 58525647, compound

Product 1

HCID 58525656HCID 58525656, compound

Sources & evidence

ORD record
ord-647fcae3810f4334ae82f8df598c1ba6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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