Dimethylformamide → (2-Methyl-4-{3-[3-(3-morpholin-4-yl-prop-1-ynyl)-5-phenylethynylphenyl]-prop-2-ynyloxy}-phenoxy)-acetic acid methyl ester

HRID 1233943Notes

Reaction equation

HRID 1233943 reaction equation
[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:9][O:10][C:11]([CH2:12][O:13][c:14]1[c:15]([CH3:40])[cH:16][c:17]([O:20][CH2:21][C:22]#[C:23][c:24]2[cH:25][c:26]([Br:39])[cH:27][c:28]([C:30]#[C:31][CH2:32][N:33]3[CH2:34][CH2:35][O:36][CH2:37][CH2:38]3)[cH:29]2)[cH:18][cH:19]1)=[O:41].[Cu:95][I:96].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[Pd:54]([Cl:55])[Cl:56].[c:1]1([C:7]#[CH:8])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[c:1]1([C:7]#[C:8][c:26]2[cH:25][c:24]([C:23]#[C:22][CH2:21][O:20][c:17]3[cH:16][c:15]([CH3:40])[c:14]([O:13][CH2:12][C:11]([O:10][CH3:9])=[O:41])[cH:19][cH:18]3)[cH:29][c:28]([C:30]#[C:31][CH2:32][N:33]3[CH2:34][CH2:35][O:36][CH2:37][CH2:38]3)[cH:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 67157848(4-{3-[3-Bromo-5-(3-morpholin-4-yl-prop-1-ynyl)-phenyl]-prop-2-ynyloxy}-2-methylphenoxy)-acetic acid methyl ester

Product 1

HCID 67158107(2-Methyl-4-{3-[3-(3-morpholin-4-yl-prop-1-ynyl)-5-phenylethynylphenyl]-prop-2-ynyloxy}-phenoxy)-acetic acid methyl ester

Sources & evidence

ORD record
ord-b33bfc482c694a9da349166a278f8bdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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