Acetonitrile → 2-(3-Methoxy-prop-1-ynyl)-phenoxy-acetic acid ethyl ester

HRID 289881Notes

Reaction equation

HRID 289881 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([I:13])[cH:9][cH:10][cH:11][cH:12]1)=[O:14].[CH3:15][O:16][CH2:17][C:18]#[CH:19].[CH3:63][C:64]#[N:65].[Cu:61][I:62].[Pd:20]([Cl:21])[Cl:22].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1.[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([C:19]#[C:18][CH2:17][O:16][CH3:15])[cH:9][cH:10][cH:11][cH:12]1)=[O:14]

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 693933-MethoxypropyneHCID 11808921Acetic acid, (2-iodophenoxy)-, ethyl ester

Product 1

HCID 670722722-(3-Methoxy-prop-1-ynyl)-phenoxy-acetic acid ethyl ester

Sources & evidence

ORD record
ord-7999535e18c84e4180b1b266d68b1565
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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