Water → 1-(Difluoromethoxy)-4-(phenylethynyl)benzene

HRID 1550137Notes

Reaction equation

HRID 1550137 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH3:20][N:21]([CH3:22])[CH:23]=[O:24].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[Cu:32][I:33].[F:9][CH:10]([O:11][c:12]1[cH:13][cH:14][c:15]([I:18])[cH:16][cH:17]1)[F:19].[OH2:75].[Pd:34]([Cl:35])[Cl:36].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[C:1](#[C:2][c:15]1[cH:14][cH:13][c:12]([O:11][CH:10]([F:9])[F:19])[cH:17][cH:16]1)[c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27370081-(Difluoromethoxy)-4-iodobenzene

Product 1

HCID 574358451-(Difluoromethoxy)-4-(phenylethynyl)benzene

Sources & evidence

ORD record
ord-cdeefb6027de4890a70535eb557ddb34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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