HRID159482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9256

Thiazole

C3H3NS

HCID12064

Benzene, 1,3-dichloro-5-nitro-

C6H3Cl2NO2

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

HCID58709982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a03debf7ba534c8c827ef6a699219bab
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

[CH3:20][C:21](=[O:22])[O-:23].[Cl:3][c:4]1[cH:5][c:6]([N+:11](=[O:12])[O-:13])[cH:7][c:8]([Cl:10])[cH:9]1.[K+:19].[N:1]#[N:2].[O:24]=[CH:25][N:26]([CH3:27])[CH3:28].[cH:14]1[cH:15][s:16][cH:17][n:18]1.[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[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)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105]1>>[c:4]1(-[c:15]2[cH:14][n:18][cH:17][s:16]2)[cH:5][c:6]([N+:11](=[O:12])[O-:13])[cH:7][c:8]([Cl:10])[cH:9]1