Acetate → HCID 87235004, compound

HRID 2144245Notes

Reaction equation

HRID 2144245 reaction equation
[C:25]([P:26]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1-[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([CH3:43])([CH3:44])[CH3:45].[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:46][C:47]([CH3:48])([O-:49])[CH3:50].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:1][c:2]1[n:3][c:4]([Cl:14])[cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH3:13])[cH:12]2)[cH:7]1.[F:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([CH3:23])[NH2:24])[cH:20][cH:21]1.[Na+:51].[Pd+2:56]>>[c:2]1([NH:24][CH:22]([c:19]2[cH:18][cH:17][c:16]([F:15])[cH:21][cH:20]2)[CH3:23])[n:3][c:4]([Cl:14])[cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH3:13])[cH:12]2)[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1230631-(4-Fluorophenyl)ethylamineHCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 866593752,6-Dichloro-4-(1-methyl-1H-pyrazol-4-yl)pyridine

Product 1

HCID 87235004HCID 87235004, compound

Sources & evidence

ORD record
ord-42885052e78c4be8b119def84864d688
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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