Diisopropylamine → Methyl 2-[2-methyl-4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]acetate

HRID 298918Notes

Reaction equation

HRID 298918 reaction equation
[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1.[CH:10]([NH:11][CH:12]([CH3:13])[CH3:14])([CH3:15])[CH3:16].[Cu:56][I:57].[I:17][c:18]1[cH:19][cH:20][c:21]([C:24](=[CH:25][CH2:26][O:27][c:28]2[cH:29][c:30]([CH3:40])[c:31]([O:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[c:41]2[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]2)[cH:22][cH:23]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[Pd:58]([Cl:59])[Cl:60].[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[CH2:1]([C:2]#[C:3][c:18]1[cH:19][cH:20][c:21]([C:24](=[CH:25][CH2:26][O:27][c:28]2[cH:29][c:30]([CH3:40])[c:31]([O:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[c:41]2[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]2)[cH:22][cH:23]1)[N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1

Participants

8

Reactant 7

HCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 4129414-(2-Propyn-1-yl)morpholineHCID 91270331Methyl 2-[4-[3-(4-iodophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate

Product 1

HCID 76583490Methyl 2-[2-methyl-4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]acetate

Sources & evidence

ORD record
ord-877d596b3dca4fbc9acc60dd32068de4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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