HRID944559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

结构：Clc1ccc(Cc2cc(C3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)ccc2Cl)nn1

HCID91058916

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(Cc2cc(C3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)ccc2Cl)nn1

HCID178509685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afa282ceb7aa4cb096fe30b1b72a1d29
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C-:60]#[N:61].[C-:63]#[N:64].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:1][c:2]1[n:3][n:4][c:5]([CH2:8][c:9]2[c:10]([Cl:54])[cH:11][cH:12][c:13]([CH:15]3[O:16][CH:17]([CH2:45][O:46][CH2:47][c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[CH:18]([O:37][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH:19]([O:29][CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH:20]3[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:14]2)[cH:6][cH:7]1.[Pd:65].[Zn+2:62].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:123]1([P:124]([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138][cH:139][cH:140][cH:141]1.[c:66]1([P:67]([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)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([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)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1([C:55]#[N:56])[n:3][n:4][c:5]([CH2:8][c:9]2[c:10]([Cl:54])[cH:11][cH:12][c:13]([CH:15]3[O:16][CH:17]([CH2:45][O:46][CH2:47][c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[CH:18]([O:37][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH:19]([O:29][CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH:20]3[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:14]2)[cH:6][cH:7]1