Acetate → HCID 178512469, compound

HRID 88109

Reaction equation

HRID 88109 reaction equation
[CH3:16][C:17]1([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22][B:23]([c:24]2[cH:25][c:26]([OH:30])[cH:27][cH:28][cH:29]2)[O:31]1.[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[NH:10])[NH2:11])[cH:6][cH:7]1.[Na+:32].[Na+:33].[Na+:58].[O-:12][C:13](=[O:14])[O-:15].[O-:34][C:35](=[O:36])[O-:37].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH-:57].[OH2:59].[Pd+2:66]>>[c:2]1(-[c:24]2[cH:25][c:26]([OH:30])[cH:27][cH:28][cH:29]2)[cH:3][cH:4][c:5]([NH:8][C:9](=[NH:10])[NH2:11])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 19660Carbonate Ion2×HCID 312751,4-DioxaneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27346233-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 178512500HCID 178512500, compound

Product 1

HCID 178512469HCID 178512469, compound

Sources & evidence

ORD record
ord-36c2d82ad6274985aabaf1e3671b68ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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