HRID2342530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID32051

Zinc (II) cation

Zn+2

HCID10133344

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

HCID9965121

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2949d78c1b14fa9a4d0935c068b1256
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

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