Acetate → HCID 16063512, compound

HRID 87248Notes

Reaction equation

HRID 87248 reaction equation
[Br:1][c:2]1[c:3](=[O:24])[n:4](-[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[n:5]([CH3:16])[c:6]1[CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]1.[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH:25]1([B:28]([OH:29])[OH:30])[CH2:26][CH2:27]1.[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1.[K+:36].[K+:37].[K+:38].[OH2:58].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[Pd+2:69]>>[c:2]1([CH:25]2[CH2:26][CH2:27]2)[c:3](=[O:24])[n:4](-[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[n:5]([CH3:16])[c:6]1[CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]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 686775324-Bromo-2-(4-fluoro-phenyl)-5-[2-(4-fluoro-phenyl)-ethyl]-1-methyl-1,2-dihydro-pyrazol-3-one

Product 1

HCID 16063512HCID 16063512, compound

Sources & evidence

ORD record
ord-a22c3d1adfee4e3681671a29c4d06f7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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