Acetate → Diethyl (4'-nitrobiphenyl-4-yl)malonate

HRID 2337099Notes

Reaction equation

HRID 2337099 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:6][cH:7]1.[C:51](=[O:52])([O-:53])[O-:54].[C:57]([CH2:58][C:59](=[O:60])[O:61][CH2:62][CH3:63])(=[O:64])[O:65][CH2:66][CH3:67].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[c:32]([CH:33]([CH3:34])[CH3:35])[cH:36][c:37]([CH:38]([CH3:39])[CH3:40])[cH:41][c:42]2[CH:43]([CH3:44])[CH3:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cs+:55].[Cs+:56].[O-:76][C:77]([CH3:78])=[O:79].[O-:80][C:81]([CH3:82])=[O:83].[Pd+2:75]>>[c:2]1([CH:58]([C:57](=[O:64])[O:65][CH2:66][CH3:67])[C:59](=[O:60])[O:61][CH2:62][CH3:63])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 7761Diethyl MalonateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2336104-Bromo-4'-nitro-1,1'-biphenylHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

Product 1

HCID 59464037Diethyl (4'-nitrobiphenyl-4-yl)malonate

Sources & evidence

ORD record
ord-3f048565d3484f3bb4c286e528192d92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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