Tetrahydrofuran → Ethyl 3-(4-chlorophenyl)propiolate

HRID 673205Notes

Reaction equation

HRID 673205 reaction equation
[C:9](=[O:10])([O-:11])[O-:12].[CH2:15]([CH3:16])[O:17][C:18]([C:19]#[CH:20])=[O:21].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([I:8])[cH:6][cH:7]1.[Cs+:13].[Cs+:14].[Cu:63][I:64].[Pd:22]([Cl:23])[Cl:24].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:20]#[C:19][C:18]([O:17][CH2:15][CH3:16])=[O:21])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 8028TetrahydrofuranHCID 11776Triphenylphosphine2×HCID 12182Ethyl propiolateHCID 125101-Chloro-4-iodobenzeneHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×

Product 1

HCID 641307Ethyl 3-(4-chlorophenyl)propiolate

Sources & evidence

ORD record
ord-b7edfb4d63d8493b9d58102ef6d9a49c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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