Acetate → HCID 87234941, compound

HRID 2143086Notes

Reaction equation

HRID 2143086 reaction equation
[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([CH3:50])([CH3:51])[CH3:52].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:53][C:54]([CH3:55])([O-:56])[CH3:57].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cl:1][c:2]1[n:3][c:4]([Cl:21])[cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:12]2)[cH:7]1.[F:22][c:23]1[cH:24][cH:25][c:26]([CH:29]([CH3:30])[NH2:31])[cH:27][cH:28]1.[Na+:58].[Pd+2:69]>>[c:2]1([NH:31][CH:29]([c:26]2[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]2)[CH3:30])[n:3][c:4]([Cl:21])[cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:12]2)[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 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 86659387HCID 86659387, compound

Product 1

HCID 87234941HCID 87234941, compound

Sources & evidence

ORD record
ord-f6e8eabb59474e1a9b141e0661db6146
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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