Tetrahydrofuran → [4-(8-Ethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl]acetic acid methyl ester

HRID 2339675Notes

Reaction equation

HRID 2339675 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:17]#[CH:18])[cH:6][c:7]2[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9][C:8]2([CH3:15])[CH3:16].[CH2:31]([N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[CH3:37].[CH3:19][O:20][C:21]([CH2:22][c:23]1[cH:24][cH:25][c:26]([I:29])[cH:27][cH:28]1)=[O:30].[Cu:38][I:39].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:17]#[C:18][c:26]2[cH:25][cH:24][c:23]([CH2:22][C:21]([O:20][CH3:19])=[O:30])[cH:28][cH:27]2)[cH:6][c:7]2[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9][C:8]2([CH3:15])[CH3:16]

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 10378700Methyl 4-IodophenylacetateHCID 225690198-Ethyl-6-ethynyl-2,2,4,4-tetramethylchroman

Product 1

HCID 69548054[4-(8-Ethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl) phenyl]acetic acid methyl ester

Sources & evidence

ORD record
ord-a23cb0b911214c928c9ff408cd86bec1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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