Sodium ion → 3-Methyl-1,1-bis(4-methylphenyl)-2-butanone

HRID 1574490Notes

Reaction equation

HRID 1574490 reaction equation
[CH3:15][CH:16]([C:17]([CH3:18])=[O:19])[CH3:20].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1.[Na+:6].[O:30]=[C:31]([CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Pd:28].[Pd:29]>>[c:8]1([CH:18]([C:17]([CH:16]([CH3:15])[CH3:20])=[O:19])[c:25]2[cH:24][cH:23][c:22]([CH3:21])[cH:27][cH:26]2)[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 1140TolueneHCID 78104-ChlorotolueneHCID 112513-Methyl-2-butanoneHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olate

Product 1

HCID 120407443-Methyl-1,1-bis(4-methylphenyl)-2-butanone

Sources & evidence

ORD record
ord-328dc813ae824f958d9b0bbad030a8c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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