HRID150211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID24676237

未命名化合物

HCID57657819

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(C)(=O)c3ccccc3)c2)c1

HCID57657925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4e5b4d61be741649ef05623d21445d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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