Acetate → Tert-butyl 4-[2-(3,4-dimethylphenyl)ethenyl]-2-(4-fluoroanilino)benzoate

HRID 1559004Notes

Reaction equation

HRID 1559004 reaction equation
[B-:48]([F:49])([F:50])([F:51])[F:52].[Br:24][c:25]1[cH:26][c:27]([CH3:32])[c:28]([CH3:31])[cH:29][cH:30]1.[C:53]([P:54]([C:55]([CH3:56])([CH3:57])[CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62])([CH3:63])([CH3:64])[CH3:65].[C:79]([O-:80])(=[O:81])[CH3:82].[C:84]([O-:85])(=[O:86])[CH3:87].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[CH3:94][N:95]([CH3:96])[C:97](=[O:98])[CH3:99].[CH:33]1([CH2:34][NH:35][CH2:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[c:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][c:18]([CH:20]=[CH2:21])[cH:19]2)[cH:22][cH:23]1.[OH:66][C:67]([CH2:68][C:69]([C:70](=[O:71])[OH:72])([CH2:73][C:74](=[O:75])[OH:76])[OH:77])=[O:78].[Pd+2:83]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[c:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][c:18]([CH:20]=[CH:21][c:25]3[cH:26][c:27]([CH3:32])[c:28]([CH3:31])[cH:29][cH:30]3)[cH:19]2)[cH:22][cH:23]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 311Citric AcidHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 31374DimethylacetamideHCID 685044-Bromo-o-xyleneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4594378Bis(cyclohexylmethyl)amineHCID 68959213Tert-butyl 2-(4-fluoroanilino)-4-vinylbenzoate

Product 1

HCID 68962927Tert-butyl 4-[2-(3,4-dimethylphenyl)ethenyl]-2-(4-fluoroanilino)benzoate

Sources & evidence

ORD record
ord-188d3bf824b94628b33f1672cd5a9821
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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