HRID817520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID947

Nitrogen

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID311870

4-bromoisoquinolin-1-amine

C9H7BrN2

结构：CC(C)(C(N)=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID57494012

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cnc(N)c5ccccc45)nc(N4CCOCC4)c3s2)CC1

HCID59606066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e987c63e9af4645a3332fc689fb4427
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:1][c:2]1[cH:3][n:4][c:5]([NH2:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[C:55]([P:56]([C:57]([CH3:58])([CH3:59])[CH3:60])[C:61]([CH3:62])([CH3:63])[CH3:64])([CH3:65])([CH3:66])[CH3:67].[C:84]([O-:85])(=[O:86])[CH3:87].[C:89]([O-:90])(=[O:91])[CH3:92].[CH2:68]1[O:69][CH2:70][CH2:71][O:72][CH2:73]1.[CH3:14][C:15](=[O:16])[O-:17].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Cl:20][c:21]1[n:22][c:23]([N:43]2[CH2:44][CH2:45][O:46][CH2:47][CH2:48]2)[c:24]2[c:25]([n:26]1)[cH:27][c:28]([CH2:30][N:31]1[CH2:32][CH2:33][N:34]([C:37]([C:38](=[O:39])[NH2:40])([CH3:41])[CH3:42])[CH2:35][CH2:36]1)[s:29]2.[Cl:74][CH2:75][Cl:76].[K+:13].[N:18]#[N:19].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[Pd+2:88]>>[c:2]1(-[c:21]2[n:22][c:23]([N:43]3[CH2:44][CH2:45][O:46][CH2:47][CH2:48]3)[c:24]3[c:25]([n:26]2)[cH:27][c:28]([CH2:30][N:31]2[CH2:32][CH2:33][N:34]([C:37]([C:38](=[O:39])[NH2:40])([CH3:41])[CH3:42])[CH2:35][CH2:36]2)[s:29]3)[cH:3][n:4][c:5]([NH2:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12