HRID1146823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID83717

Copper iodide (CuI2)

CuI2

结构：CCCC(=O)Nc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C(F)(F)F

HCID11291234

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：CCCC(=O)Nc1cc([N+](=O)[O-])ccc1C#Cc1ccccc1

HCID11358741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d162b05153be402796caf47fb2e18308
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

[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:41][C:42]#[N:43].[Cl-:39].[Cu:139]([I:140])[I:141].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([NH:16][C:17]([CH2:18][CH2:19][CH3:20])=[O:21])[cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]1)(=[O:22])=[O:23].[I-:44].[NH4+:40].[c:31]1([C:37]#[CH:38])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([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]1>>[c:7]1([C:38]#[C:37][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:8]([NH:16][C:17]([CH2:18][CH2:19][CH3:20])=[O:21])[cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]1