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

HRID 1114185Notes

Reaction equation

HRID 1114185 reaction equation
[CH2:79]([N:80]([CH2:81][CH3:82])[CH2:83][CH3:84])[CH3:85].[CH3:23][O:24][C:25]([CH2:26][c:27]1[c:28]([F:34])[cH:29][c:30]([I:33])[cH:31][cH:32]1)=[O:35].[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:36][I:37].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[CH:1]1([N:4]([CH3:5])[CH2:6][c:7]2[cH:8][c:9]([C:21]#[C:22][c:30]3[cH:29][c:28]([F:34])[c:27]([CH2:26][C:25]([O:24][CH3:23])=[O:35])[cH:32][cH:31]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 187102252-Fluoro-4-iodo phenyl acetic acid methyl esterHCID 211072508-[(Cyclopropyl-methyl-amino)methyl]-6-ethynyl-2,2,4,4-tetramethyl-chroman

Product 1

HCID 69074713(4-{8-[(Cyclopropyl-methyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman-6-ylethynyl}-2-fluoro-phenyl)-acetic acid methyl ester

Sources & evidence

ORD record
ord-45074d2ed6cf427aa9ec753a61b255b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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