Hexane → 2-[4-(8-Hydroxy-2,2,4,4-tetramethyl-chroman-6-ylethynyl)-phenyl]-propionic acid methyl ester

HRID 2336353Notes

Reaction equation

HRID 2336353 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][c:5]2[c:10]([c:11]([OH:13])[cH:12]1)[O:9][C:8]([CH3:14])([CH3:15])[CH2:7][C:6]2([CH3:16])[CH3:17].[CH2:49]([N:50]([CH2:51][CH3:52])[CH2:53][CH3:54])[CH3:55].[CH3:18][O:19][C:20]([CH:21]([CH3:22])[c:23]1[cH:24][cH:25][c:26]([C:29]#[C:30][c:31]2[cH:32][c:33]([CH:34]3[CH2:35][CH2:36]3)[c:37]3[c:46]([cH:47]2)[C:43]([CH3:44])([CH3:45])[CH2:42][C:39]2([O:38]3)[CH2:40][CH2:41]2)[cH:27][cH:28]1)=[O:48].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[Cu:68][I:69].[Pd:70]([Cl:71])[Cl:72].[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[C:1](#[C:2][c:26]1[cH:25][cH:24][c:23]([CH:21]([C:20]([O:19][CH3:18])=[O:48])[CH3:22])[cH:28][cH:27]1)[c:3]1[cH:4][c:5]2[c:10]([c:11]([OH:13])[cH:12]1)[O:9][C:8]([CH3:14])([CH3:15])[CH2:7][C:6]2([CH3:16])[CH3:17]

Participants

9

Reactant 8

HCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 211072286-Ethynyl-8-hydroxy-2,2,4,4-tetramethyl-chromanHCID 690752312-{4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-phenyl}-propionic acid methyl ester

Product 1

HCID 690767192-[4-(8-Hydroxy-2,2,4,4-tetramethyl-chroman-6-ylethynyl)-phenyl]-propionic acid methyl ester

Sources & evidence

ORD record
ord-477b7a05514948de8c7df3eca6e1eb20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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