HRID1131695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID13512

3,3-Dimethylbutyne

C6H10

HCID23938

Palladium

2 次

HCID83717

Copper iodide (CuI2)

CuI2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID605723

Ethyl 5-bromothiophene-2-carboxylate

C7H7BrO2S

PRODUCTS

生成物

HCID58114128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32c2ccbbf5404effa0c597f591e21292
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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