Acetate → Methyl 4-(4-(((2,4-difluorobenzyl)(2-methyl-3-nitrophenyl)amino)methyl)phenoxy)benzoate

HRID 301292Notes

Reaction equation

HRID 301292 reaction equation
[C:48]([P:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1-[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)([CH3:66])([CH3:67])[CH3:68].[CH3:29][O:30][C:31]([c:32]1[cH:33][cH:34][c:35]([Br:38])[cH:36][cH:37]1)=[O:39].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[F:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[c:7]([CH3:15])[c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]2)[CH2:16][c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]2)[cH:24][cH:25][c:26]([F:28])[cH:27]1.[K+:45].[K+:46].[K+:47].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[Pd+2:69]>>[F:1][c:2]1[c:3]([CH2:4][N:5]([c:6]2[c:7]([CH3:15])[c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][cH:11]2)[CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][c:35]3[cH:34][cH:33][c:32]([C:31]([O:30][CH3:29])=[O:39])[cH:37][cH:36]3)[cH:21][cH:22]2)[cH:24][cH:25][c:26]([F:28])[cH:27]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 12081Methyl 4-bromobenzoateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 18512160N-(2,4-difluorobenzyl)-N-(4-hydroxybenzyl)-2-methyl-3-nitroaniline

Product 1

HCID 18511913Methyl 4-(4-(((2,4-difluorobenzyl)(2-methyl-3-nitrophenyl)amino)methyl)phenoxy)benzoate

Sources & evidence

ORD record
ord-288012ef9e104e56a0a038be4599b316
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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