Triethylamine → Ethyl 2-(4-fluoro-5-nitro-2-(2-(trimethylsilyl)ethynyl)phenyl)acetate

HRID 179851Notes

Reaction equation

HRID 179851 reaction equation
[Br:1][c:2]1[c:3]([CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([F:8])[cH:7]1.[CH3:18][Si:19]([CH3:20])([CH3:21])[C:22]#[CH:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cu:72][I:73].[Pd:31]([Cl:32])[Cl:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[c:2]1([C:23]#[C:22][Si:19]([CH3:18])([CH3:20])[CH3:21])[c:3]([CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 68984776HCID 68984776, compound

Product 1

HCID 69088386Ethyl 2-(4-fluoro-5-nitro-2-(2-(trimethylsilyl)ethynyl)phenyl)acetate

Sources & evidence

ORD record
ord-a96c42d1f2ab4db79df90b6299e61214
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…