Triethylamine → 2-(4-{8-[(Cyclopropyl-methyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman-6-ylethynyl}-phenyl)-propionic acid methyl ester

HRID 125303Notes

Reaction equation

HRID 125303 reaction equation
[CH2:97]([N:98]([CH2:99][CH3:100])[CH2:101][CH3:102])[CH3:103].[CH3:23][O:24][C:25]([CH:26]([CH3:27])[c:28]1[cH:29][cH:30][c:31]([C:34]#[C:35][c:36]2[cH:37][c:38]([CH:39]3[CH2:40][CH2:41]3)[c:42]3[c:51]([cH:52]2)[C:48]([CH3:49])([CH3:50])[CH2:47][C:44]2([O:43]3)[CH2:45][CH2:46]2)[cH:32][cH:33]1)=[O:53].[CH:1]1([N:4]([CH3:5])[CH2:6][c:7]2[cH:8][c:9]([C:21]#[CH:22])[cH:10][c:11]3[c:16]2[O:15][C:14]([CH3:17])([CH3:18])[CH2:13][C:12]3([CH3:19])[CH3:20])[CH2:2][CH2:3]1.[Cu:54][I:55].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[CH:1]1([N:4]([CH3:5])[CH2:6][c:7]2[cH:8][c:9]([C:21]#[C:22][c:31]3[cH:30][cH:29][c:28]([CH:26]([C:25]([O:24][CH3:23])=[O:53])[CH3:27])[cH:33][cH:32]3)[cH:10][c:11]3[c:16]2[O:15][C:14]([CH3:17])([CH3:18])[CH2:13][C:12]3([CH3:19])[CH3:20])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 211072508-[(Cyclopropyl-methyl-amino)methyl]-6-ethynyl-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 690760872-(4-{8-[(Cyclopropyl-methyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman-6-ylethynyl}-phenyl)-propionic acid methyl ester

Sources & evidence

ORD record
ord-e4ff26e38ce14bf3b7225d06ed595e4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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