HRID168459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：Clc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1

HCID86670613

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：C#Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1

HCID86670614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48370fd7c0c74f07be81c8d9d1aa10bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:26][Si:27]([CH3:28])([CH3:29])[C:30]#[CH:31].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:9]2[c:10]([NH:12][CH2:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[n:11]1.[I-:32].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1([C:30]#[CH:31])[n:3][c:4]2[cH:5][cH:6][cH:7][c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:9]2[c:10]([NH:12][CH2:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[n:11]1