Acetate → Methyl 4-[3'-fluoro-4'-(formylamino)-1,1'-biphenyl-4-yl]-2,2-dimethyl-4-oxobutanoate

HRID 202869

Reaction equation

HRID 202869 reaction equation
[Br:17][c:18]1[cH:19][cH:20][c:21]([C:24]([CH2:25][C:26]([C:27](=[O:28])[O:29][CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:22][cH:23]1.[C:34](=[O:35])([O-:36])[O-:37].[C:45]([O-:46])(=[O:47])[CH3:48].[C:50]([O-:51])(=[O:52])[CH3:53].[CH3:13][C:14](=[O:15])[O-:16].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cs+:38].[Cs+:39].[F:1][c:2]1[c:3]([NH:9][CH:10]=[O:11])[cH:4][cH:5][c:6]([I:8])[cH:7]1.[K+:12].[OH2:131].[Pd+2:49].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[F:1][c:2]1[c:3]([NH:9][CH:10]=[O:11])[cH:4][cH:5][c:6](-[c:18]2[cH:19][cH:20][c:21]([C:24]([CH2:25][C:26]([C:27](=[O:28])[O:29][CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:22][cH:23]2)[cH:7]1

Participants

11

Reactant 10

HCID 175Acetate3×HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21985797Methyl 4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoateHCID 23549341N-(2-fluoro-4-iodophenyl)formamideHCID 178420554HCID 178420554, compound

Product 1

HCID 21985807Methyl 4-[3'-fluoro-4'-(formylamino)-1,1'-biphenyl-4-yl]-2,2-dimethyl-4-oxobutanoate

Sources & evidence

ORD record
ord-fbd7adda8c604a359bca804e7d05cf6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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