HRID86476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

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

HCID81531

Diisopropylethylamine

C8H19N

HCID4184066

未命名化合物

HCID17748172

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=CC#CC(C)c1ccccc1C(=O)c1ocnc1C

HCID73152577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86388623b2fe45658d6910fec2722dc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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