Acetate → HCID 54291610, compound

HRID 1231855Notes

Reaction equation

HRID 1231855 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[c:10]2[cH:11][c:12]([CH2:26][CH3:27])[n:13]([CH2:18][c:19]3[c:20]([Br:25])[cH:21][cH:22][cH:23][cH:24]3)[c:14]2[cH:15][cH:16][cH:17]1)=[O:28].[C:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[CH2:64]([OH:65])[CH2:66][CH3:67].[F:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Na+:58].[Na+:59].[O-:60][C:61](=[O:62])[O-:63].[OH2:68].[Pd+2:73].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[c:10]2[cH:11][c:12]([CH2:26][CH3:27])[n:13]([CH2:18][c:19]3[c:20](-[c:33]4[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]4)[cH:21][cH:22][cH:23][cH:24]3)[c:14]2[cH:15][cH:16][cH:17]1)=[O:28]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2856454-Fluorophenylboronic acidHCID 53664751HCID 53664751, compound

Product 1

HCID 54291610HCID 54291610, compound

Sources & evidence

ORD record
ord-b8c7e1c4dd914f54a3aa35a00f0571e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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