HRID1151608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID24350

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

CuI

HCID70118

Benzene, 1-chloro-4-ethynyl-

C8H5Cl

HCID81531

Diisopropylethylamine

C8H19N

结构：CNC(=O)c1cc(I)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID67342767

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(C#Cc2ccc(Cl)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID67346122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0aa8186c7ab247408e0ec3478f1b885a
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

[CH3:42][C:43]#[N:44].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:24][c:25]1[cH:26][cH:27][c:28]([C:31]#[CH:32])[cH:29][cH:30]1.[Cu:122][I:123].[I:1][c:2]1[cH:3][c:4]([C:20](=[O:21])[NH:22][CH3:23])[c:5](=[O:19])[n:6](-[c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]2)[c:7]1[CH3:8].[Pd:45].[c:103]1([P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[c:2]1([C:32]#[C:31][c:28]2[cH:27][cH:26][c:25]([Cl:24])[cH:30][cH:29]2)[cH:3][c:4]([C:20](=[O:21])[NH:22][CH3:23])[c:5](=[O:19])[n:6](-[c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]2)[c:7]1[CH3:8]