HRID2162312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COc1cc(F)c(C(C)C)cc1-c1ccc(Br)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73005800

未命名化合物

HCID178418546

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：COc1cc(F)c(C(C)C)cc1-c1ccc(C#N)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73068449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fe990fbd2fa4f18ac3dae623a5c7d17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cu:42][C:43]#[N:44].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21](-[c:27]4[c:28]([O:37][CH3:38])[cH:29][c:30]([F:36])[c:31]([CH:33]([CH3:34])[CH3:35])[cH:32]4)[cH:22][cH:23][c:24]([Br:26])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41].[N:45]#[N:46].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21](-[c:27]4[c:28]([O:37][CH3:38])[cH:29][c:30]([F:36])[c:31]([CH:33]([CH3:34])[CH3:35])[cH:32]4)[cH:22][cH:23][c:24]([C:43]#[N:44])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41]