HRID695551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID5975

Cyanide

CN-

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID32051

Zinc (II) cation

Zn+2

HCID603144

5-Bromophthalide

C8H5BrO2

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

HCID821218

1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile

C9H5NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab19d6fd25354a248364759552021528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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