HRID137710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11737

1,1-Dimethylurea

C3H8N2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2F)cc2cnc(Cl)cc21

HCID86713700

未命名化合物

PRODUCTS

生成物

结构：CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2F)cc2cnc(NC(=O)N(C)C)cc21

HCID71584906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43d186ccdfba48d9982d5746d6c65872
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][N:40]([C:41](=[O:42])[NH2:43])[CH3:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:1][c:2]1[n:3][cH:4][c:5]2[cH:6][c:7](-[c:15]3[c:16]([F:32])[cH:17][c:18]([F:31])[c:19]([NH:21][C:22](=[O:23])[NH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20]3)[c:8](=[O:14])[n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1.[Cs+:37].[Cs+:38].[O:113]=[CH:114][N:115]([CH3:116])[CH3:117].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:57].[Pd:58]>>[c:2]1([NH:43][C:41]([N:40]([CH3:39])[CH3:44])=[O:42])[n:3][cH:4][c:5]2[cH:6][c:7](-[c:15]3[c:16]([F:32])[cH:17][c:18]([F:31])[c:19]([NH:21][C:22](=[O:23])[NH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20]3)[c:8](=[O:14])[n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1