HRID1142404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID53395468

5-Bromo-4-methylpyridine-2-carbonitrile

C7H5BrN2

结构：CN(C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)c1ccccc1O

HCID68603028

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：Cc1cc(C#N)ncc1-c1cc(C(=O)N(C)c2ccccc2O)ccc1Cl

HCID68603228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fe11647c4e044e5b8bf65d662548a4e
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

[Br:28][c:29]1[c:30]([CH3:37])[cH:31][c:32]([C:35]#[N:36])[n:33][cH:34]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:1][c:2]1[c:3]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[c:10]2[c:11]([OH:16])[cH:12][cH:13][cH:14][cH:15]2)[cH:17][cH:18]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([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)[cH:131][cH:132]1>>[Cl:1][c:2]1[c:3](-[c:29]2[c:30]([CH3:37])[cH:31][c:32]([C:35]#[N:36])[n:33][cH:34]2)[cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[c:10]2[c:11]([OH:16])[cH:12][cH:13][cH:14][cH:15]2)[cH:17][cH:18]1