Acetate → 2-Methyl-7-(4-dimethylaminophenyl)-1-indanone

HRID 123454Notes

Reaction equation

HRID 123454 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2.[C:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH2:71]([CH2:72][O:73][CH3:74])[O:75][CH3:76].[CH3:13][N:14]([c:15]1[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1)[CH3:24].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:86].[Pd+2:81].[c:31]1([CH3:32])[cH:33][cH:34][cH:35][cH:36][c:37]1-[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[P:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1-[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][c:63]1-[c:64]1[cH:65][cH:66][cH:67][cH:68][c:69]1[CH3:70]>>[c:2]1(-[c:18]2[cH:17][cH:16][c:15]([N:14]([CH3:13])[CH3:24])[cH:20][cH:19]2)[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343444-(Dimethylamino)phenylboronic acidHCID 158697837-Bromo-2-methyl-2,3-dihydro-1H-inden-1-oneHCID 22172997Tris(o-tolylphenyl)phosphine

Product 1

HCID 158697842-Methyl-7-(4-dimethylaminophenyl)-1-indanone

Sources & evidence

ORD record
ord-dfaaa104912f45179726b042378385f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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