HRID1152402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID32051

Zinc (II) cation

Zn+2

结构：CCOC(=O)N(Cc1ccccc1Cl)c1c([N+](=O)[O-])cc(Br)cc1C(F)(F)F

HCID22327381

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：CCOC(=O)N(Cc1ccccc1Cl)c1c([N+](=O)[O-])cc(C#N)cc1C(F)(F)F

HCID69744412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49c05488a590422db39c7c201657c35e
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

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