Acetate → HCID 69061883, compound
Reaction equation
[Br:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([C:18]([F:19])([F:20])[F:21])[c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]2)[cH:5][cH:6][cH:7]1.[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH2:72]([OH:73])[CH2:74][CH3:75].[Cl:22][c:23]1[cH:24][cH:25][cH:26][cH:27][c:28]1[B:29]([OH:30])[OH:31].[Na+:51].[Na+:52].[Na+:58].[O-:53][C:54](=[O:55])[O-:56].[OH-:57].[OH2:85].[OH:59][C:60]([CH2:61][C:62]([C:63](=[O:64])[OH:65])([CH2:66][C:67](=[O:68])[OH:69])[OH:70])=[O:71].[Pd+2:80].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[Br:1][c:2]1[cH:3][c:4](-[n:8]2[n:9][c:10]([C:18]([F:19])([F:20])[F:21])[c:11]([C:13](=[O:14])[OH:15])[cH:12]2)[cH:5][cH:6][cH:7]1Participants
12
Reactant 11
HCID 175Acetate2×
HCID 311Citric Acid
HCID 923Sodium ion3×
HCID 961Hydroxide
HCID 962Water
HCID 10311-Propanol
HCID 11776Triphenylphosphine
HCID 19660Carbonate Ion
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 27343222-Chlorophenylboronic acid
HCID 69062179HCID 69062179, compoundProduct 1
Sources & evidence
- ORD record
- ord-5fbbdfae4bc248f883767ccfed0cd6ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…