Acetate → HCID 57460584, compound

HRID 135793Notes

Reaction equation

HRID 135793 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[n:8]2[c:9]([CH3:34])[n:10][c:11]([CH2:30][CH2:31][CH2:32][CH3:33])[c:12]([CH2:15][c:16]3[cH:17][cH:18][c:19](-[c:22]4[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[c:13]2=[O:14])[cH:5][cH:6][cH:7]1.[C:82]([O-:83])(=[O:84])[CH3:85].[C:87]([O-:88])(=[O:89])[CH3:90].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH:35]1([B:38]([OH:39])[OH:40])[CH2:36][CH2:37]1.[CH:41]1([P:42]([CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[K+:65].[K+:66].[K+:67].[OH2:68].[P:60]([O-:61])([O-:62])([O-:63])=[O:64].[Pd+2:86].[c:69]1([CH3:70])[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([CH:35]2[CH2:36][CH2:37]2)[cH:3][c:4](-[n:8]2[c:9]([CH3:34])[n:10][c:11]([CH2:30][CH2:31][CH2:32][CH3:33])[c:12]([CH2:15][c:16]3[cH:17][cH:18][c:19](-[c:22]4[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]4)[cH:20][cH:21]3)[c:13]2=[O:14])[cH:5][cH:6][cH:7]1

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 57460559HCID 57460559, compound

Product 1

HCID 57460584HCID 57460584, compound

Sources & evidence

ORD record
ord-5446962e02ca433587b71ec085c91104
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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