Dimethylformamide → N-{4-[4-(diethylcarbamoyl-phenyl-methyl)-piperazin-1-yl]-3-trimethylsilanylethynyl-phenyl}-2-ethylbutyramide

HRID 96491Notes

Reaction equation

HRID 96491 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:28][C:29]([CH:30]([CH2:31][CH3:32])[CH2:33][CH3:34])=[O:35])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([CH:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[C:21]([N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])=[O:27])[CH2:12][CH2:13]1.[CH2:55]([NH:56][CH2:57][CH3:58])[CH3:59].[CH3:60][Si:61]([CH3:62])([CH3:63])[C:64]#[CH:65].[Cu:71][I:72].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[Pd:73]([Cl:74])[Cl:75].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]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:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[c:2]1([C:65]#[C:64][Si:61]([CH3:60])([CH3:62])[CH3:63])[cH:3][c:4]([NH:28][C:29]([CH:30]([CH2:31][CH3:32])[CH2:33][CH3:34])=[O:35])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([CH:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[C:21]([N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])=[O:27])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8021DiethylamineHCID 11776Triphenylphosphine3×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 58870741HCID 58870741, compound

Product 1

HCID 69304338N-{4-[4-(diethylcarbamoyl-phenyl-methyl)-piperazin-1-yl]-3-trimethylsilanylethynyl-phenyl}-2-ethylbutyramide

Sources & evidence

ORD record
ord-c930495271e141079083ecc6c926ed82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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