HRID1208576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7854

Propionitrile

C3H5N

HCID8857

Ethyl acetate

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID22929845

5-Bromo-2-ethoxy-N,4-dimethylbenzamide

C11H14BrNO2

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

HCID178511850

未命名化合物

PRODUCTS

生成物

HCID22929870

5-Cyano-2-ethoxy-N,4-dimethylbenzamide

C12H14N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-079ae222d6094a3ca7aae2152bdf57d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:26](#[N:27])[CH2:28][CH3:29].[CH3:19][CH2:20][O:21][C:22](=[O:23])[CH3:24].[CH3:1][NH:2][C:3]([c:4]1[c:5]([O:12][CH2:13][CH3:14])[cH:6][c:7]([CH3:11])[c:8]([Br:10])[cH:9]1)=[O:15].[Cu:30]([I:31])[I:32].[Na:16][C:17]#[N:18].[OH2:25].[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)([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)[cH:108][cH:109]1>>[CH3:1][NH:2][C:3]([c:4]1[c:5]([O:12][CH2:13][CH3:14])[cH:6][c:7]([CH3:11])[c:8]([C:17]#[N:18])[cH:9]1)=[O:15]