Acetate → HCID 57460071, compound

HRID 2130493Notes

Reaction equation

HRID 2130493 reaction equation
[Br:1][c:2]1[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:29]1([B:32]([OH:33])[OH:34])[CH2:30][CH2:31]1.[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[K+:40].[K+:41].[K+:42].[OH2:62].[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[Pd+2:80].[c:63]1([CH3:64])[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1([CH:29]2[CH2:30][CH2:31]2)[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 574600664'-[(5-bromo-4-ethyl-6-oxo-2-propylpyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 57460071HCID 57460071, compound

Sources & evidence

ORD record
ord-0a3ca9b4a9a148dcab274de99eef10f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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