HRID799894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1

HCID2734212

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CC(C)N(c5ccc(C(F)(F)F)cn5)CC4C)cn3)oc12

HCID57917107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b5a412be0ff4bbeb1f9c7544b499181
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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