HRID106289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7855

Acrylonitrile

C3H3N

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：COc1nc(OC)c(C(C)C)c(C(=O)c2cc(C)cc(Br)c2)n1

HCID59686860

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：COc1nc(OC)c(C(C)C)c(C(=O)c2cc(C)cc(C=CC#N)c2)n1

HCID66705544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-446833b64e84451a855e0aa6d892ac08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:9](=[O:10])[c:11]2[n:12][c:13]([O:22][CH3:23])[n:14][c:15]([O:20][CH3:21])[c:16]2[CH:17]([CH3:18])[CH3:19])[cH:5][c:6]([CH3:8])[cH:7]1.[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH2:29]=[CH:30][C:31]#[N:32].[CH3:25][C:26](=[O:27])[O-:28].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Na+:24].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[Pd+2:48].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1([CH:29]=[CH:30][C:31]#[N:32])[cH:3][c:4]([C:9](=[O:10])[c:11]2[n:12][c:13]([O:22][CH3:23])[n:14][c:15]([O:20][CH3:21])[c:16]2[CH:17]([CH3:18])[CH3:19])[cH:5][c:6]([CH3:8])[cH:7]1