Acetate → 4,4-Dimethyl-7-((trimethylsilyl)ethynyl)-3,4-dihydronaphthalen-1(2H)-one

HRID 2333360Notes

Reaction equation

HRID 2333360 reaction equation
[CH3:1][C:2]1([CH3:14])[CH2:3][CH2:4][C:5](=[O:13])[c:6]2[cH:7][c:8]([Br:12])[cH:9][cH:10][c:11]21.[CH3:34][Si:35]([CH3:36])([CH3:37])[C:38]#[CH:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[O-:48][C:49]([CH3:50])=[O:51].[O-:52][C:53]([CH3:54])=[O:55].[Pd+2:47].[c:15]1([P:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH3:1][C:2]1([CH3:14])[CH2:3][CH2:4][C:5](=[O:13])[c:6]2[cH:7][c:8]([C:39]#[C:38][Si:35]([CH3:34])([CH3:36])[CH3:37])[cH:9][cH:10][c:11]21

Participants

7

Reactant 6

HCID 175Acetate2×HCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 66111TrimethylsilylacetyleneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 107533577-Bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one

Product 1

HCID 106121314,4-Dimethyl-7-((trimethylsilyl)ethynyl)-3,4-dihydronaphthalen-1(2H)-one

Sources & evidence

ORD record
ord-f5ca6701df2c4fafa93b2cbe6f0311e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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