HRID682585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID4349543

未命名化合物

HCID67313992

未命名化合物

PRODUCTS

生成物

结构：CCc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(CC)c1C(=O)OC

HCID67314105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57f3bec0f5845aca0458ffd1f1f2713
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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