Hydrochloric Acid → 1-bromo-4-(phenylethynyl)benzene

HRID 1118829Notes

Reaction equation

HRID 1118829 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([I:8])[cH:6][cH:7]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[ClH:22].[Cu:23][I:24].[O:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1.[Pd:25]([Cl:26])[Cl:27].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:9]1([C:15]#[CH:16])[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:16]#[C:15][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 115221-Bromo-4-iodobenzeneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 2908881-bromo-4-(phenylethynyl)benzene

Sources & evidence

ORD record
ord-ca0d25572d554c3bb523b757733b69ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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