Acetate → HCID 22173022, compound

HRID 1213269Notes

Reaction equation

HRID 1213269 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2.[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH2:49]([CH2:50][O:51][CH3:52])[O:53][CH3:54].[F:13][c:14]1[cH:15][c:16]([B:21]([OH:22])[OH:23])[cH:17][c:18]([F:20])[cH:19]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[OH2:64].[Pd+2:59].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1(-[c:16]2[cH:15][c:14]([F:13])[cH:19][c:18]([F:20])[cH:17]2)[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734338(3,5-Difluorophenyl)boronic acidHCID 158697837-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one

Product 1

HCID 22173022HCID 22173022, compound

Sources & evidence

ORD record
ord-eeb754c736fc485c959df8d4d9e169c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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