Acetate → HCID 67431254, compound

HRID 148717Notes

Reaction equation

HRID 148717 reaction equation
[C:46](=[O:47])([O-:48])[OH:49].[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([CH3:12])[c:10]1[Br:11].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH:13]1([P:14]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[CH:26]2[CH2:17][CH2:16][CH2:15][CH2:30][CH2:31]2)[CH2:24][CH2:25][CH2:27][CH2:28][CH2:29]1.[CH:40]1([B:41]([OH:42])[OH:43])[CH2:44][CH2:45]1.[K+:37].[K+:38].[K+:39].[Na+:50].[OH2:73].[P:32]([O-:33])([O-:34])([O-:35])=[O:36].[Pd+2:62]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([CH3:12])[c:10]1[CH:30]1[CH2:26][CH2:31]1

Participants

13

Reactant 12

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 224422683-bromo-2,4-dimethylbenzoic acid

Product 1

HCID 67431254HCID 67431254, compound

Sources & evidence

ORD record
ord-0d98c0f9f6604d139403e67724caf0be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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