HRID944448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID21051092

4-Bromo-2-fluoro-1-(1-methylethyl)benzene

C9H10BrF

HCID22499802

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(C#CC(O)(CC2=CC(=O)OC(C)(C)O2)C2CCCC2)cc1F

HCID58762587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b54dc92908694bed8e9aa687c5426cc7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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