Acetate → HCID 58129453, compound

HRID 1210891Notes

Reaction equation

HRID 1210891 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH3:9])([CH3:10])[c:11]1[n:12][c:13]([Br:17])[cH:14][cH:15][cH:16]1)=[O:18].[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:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH:19]1([B:22]([OH:23])[OH:24])[CH2:20][CH2:21]1.[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[K+:30].[K+:31].[K+:32].[OH2:74].[P:25]([O-:26])([O-:27])([O-:28])=[O:29].[Pd+2:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH3:9])([CH3:10])[c:11]1[n:12][c:13]([CH:19]2[CH2:20][CH2:21]2)[cH:14][cH:15][cH:16]1)=[O:18]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 581294981,1-Dimethylethyl N-[1-(6-bromo-2-pyridinyl)-1-methylethyl]carbamate

Product 1

HCID 58129453HCID 58129453, compound

Sources & evidence

ORD record
ord-61946a7c9029499c9fabe3499769a79d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…