Acetate → HCID 68963103, compound

HRID 2350579Notes

Reaction equation

HRID 2350579 reaction equation
[B-:47]([F:48])([F:49])([F:50])[F:51].[Br:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[C:52]([P:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[C:58]([CH3:59])([CH3:60])[CH3:61])([CH3:62])([CH3:63])[CH3:64].[C:78]([O-:79])(=[O:80])[CH3:81].[C:83]([O-:84])(=[O:85])[CH3:86].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH3:93][N:94]([CH3:95])[C:96](=[O:97])[CH3:98].[CH:32]1([CH2:33][NH:34][CH2:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[F:23][c:24]1[c:25]([CH:26]=[CH2:27])[cH:28][cH:29][cH:30][cH:31]1.[OH:65][C:66]([CH2:67][C:68]([C:69](=[O:70])[OH:71])([CH2:72][C:73](=[O:74])[OH:75])[OH:76])=[O:77].[Pd+2:82]>>[c:2]1([CH:27]=[CH:26][c:25]2[c:24]([F:23])[cH:31][cH:30][cH:29][cH:28]2)[cH:3][c:4]([NH:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 311Citric AcidHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 31374DimethylacetamideHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 123056o-FluorostyreneHCID 4594378Bis(cyclohexylmethyl)amineHCID 68956988Tert-butyl 4-bromo-2-(4-fluoroanilino)benzoate

Product 1

HCID 68963103HCID 68963103, compound

Sources & evidence

ORD record
ord-f818822b2ad9443fb465adf86926f531
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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