HRID2345318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID32051

Zinc (II) cation

Zn+2

反应SMILES：COc1cc(C(=O)c2nc(Br)c3ccccn23)ccc1[N+](=O)[O-]

HCID67215796

未命名化合物

反应SMILES：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

产物

反应SMILES：COc1cc(C(=O)c2nc(C#N)c3ccccn23)ccc1[N+](=O)[O-]

HCID67215504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c2ca362cf9c34668b4af711cfec42f5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:1][c:2]1[n:3][c:4]([C:11](=[O:12])[c:13]2[cH:14][c:15]([O:22][CH3:23])[c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]2)[n:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[C-:29]#[N:30].[C-:32]#[N:33].[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[Zn+2:31].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([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)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[cH:109][cH:110]1>>[c:2]1([C:24]#[N:25])[n:3][c:4]([C:11](=[O:12])[c:13]2[cH:14][c:15]([O:22][CH3:23])[c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]2)[n:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2