HRID165136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID70118

Benzene, 1-chloro-4-ethynyl-

C8H5Cl

结构：COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(C#CCN3CCOCC3)c2)cc1C

HCID67157848

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(OCC#Cc2cc(C#CCN3CCOCC3)cc(C#Cc3ccc(Cl)cc3)c2)cc1C

HCID67157570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abe27f80d5cc45319a2c0d8feb861e87
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

[CH3:10][O:11][C:12]([CH2:13][O:14][c:15]1[c:16]([CH3:41])[cH:17][c:18]([O:21][CH2:22][C:23]#[C:24][c:25]2[cH:26][c:27]([Br:40])[cH:28][c:29]([C:31]#[C:32][CH2:33][N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[cH:30]2)[cH:19][cH:20]1)=[O:42].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[CH:9])[cH:6][cH:7]1.[Cu:132][I:133].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:27]2[cH:26][c:25]([C:24]#[C:23][CH2:22][O:21][c:18]3[cH:17][c:16]([CH3:41])[c:15]([O:14][CH2:13][C:12]([O:11][CH3:10])=[O:42])[cH:20][cH:19]3)[cH:30][c:29]([C:31]#[C:32][CH2:33][N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[cH:28]2)[cH:6][cH:7]1