Acetate → HCID 68678712, compound

HRID 1544028Notes

Reaction equation

HRID 1544028 reaction equation
[Br:1][c:2]1[c:3](=[O:16])[n:4](-[c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]2)[n:5]([CH3:8])[c:6]1[CH3:7].[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH:17]1([B:20]([OH:21])[OH:22])[CH2:18][CH2:19]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[K+:28].[K+:29].[K+:30].[OH2:50].[OH2:66].[P:23]([O-:24])([O-:25])([O-:26])=[O:27].[Pd+2:61]>>[c:2]1([CH:17]2[CH2:18][CH2:19]2)[c:3](=[O:16])[n:4](-[c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]2)[n:5]([CH3:8])[c:6]1[CH3:7]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962Water2×HCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 68677860HCID 68677860, compound

Product 1

HCID 68678712HCID 68678712, compound

Sources & evidence

ORD record
ord-bd95660ba4444625beaf3be34a4f8540
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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