HRID120328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

HCID312714

1-chloro-2-iodo-4-nitrobenzene

C6H3ClINO2

HCID643358

1-Ethynyl-2-fluorobenzene

C8H5F

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(Cl)c(C#Cc2ccccc2F)c1

HCID57685680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6330b290d91543328dd6a873b0acf790
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

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