HRID305935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(=O)OCc1c(-c2cc(Br)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID66742192

未命名化合物

HCID178479892

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(N4CC5CC4CN5C)nn3)c(=O)n(C)n2)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O

HCID178475808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e2f84955aa64a878cc1d2249a06d3eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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