Acetate → HCID 46315130, compound

HRID 700581Notes

Reaction equation

HRID 700581 reaction equation
[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:32]1([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2-[c:46]2[c:47]([O:48][CH3:49])[cH:50][cH:51][cH:52][c:53]2[O:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][c:4]([CH2:12][OH:13])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[K+:29].[K+:30].[K+:31].[OH2:77].[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[Pd+2:72].[c:14]1([O:20][B:21]([OH:22])[OH:23])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:2]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:3][c:4]([CH2:12][OH:13])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 78412Phenyl dihydrogen orthoborateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 44557937[3-Chloro-4-(trifluoromethyl)phenyl]methanol

Product 1

HCID 46315130HCID 46315130, compound

Sources & evidence

ORD record
ord-11ccaf54c3d34fbf86e65661d9b40efe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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