HRID160538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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

HCID735862

5-(trifluoromethyl)pyridin-2-amine

C6H5F3N2

结构：COCc1nc(Cl)c2ccc(-c3ncccc3C(F)(F)F)nc2n1

HCID59655754

未命名化合物

PRODUCTS

生成物

结构：COCc1nc(Nc2ccc(C(F)(F)F)cn2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1

HCID59655755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f71c9f76fe64b289e3a745afcf7282b
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:37](=[O:38])([O-:39])[O-:40].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([CH2:8][O:9][CH3:10])[n:7]1)[n:11][c:12](-[c:15]1[n:16][cH:17][cH:18][cH:19][c:20]1[C:21]([F:22])([F:23])[F:24])[cH:13][cH:14]2.[ClH:25].[Cs+:41].[Cs+:42].[NH2:26][c:27]1[n:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]1.[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:49].[Pd:50]>>[c:2]1([NH:26][c:27]2[n:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[c:3]2[c:4]([n:5][c:6]([CH2:8][O:9][CH3:10])[n:7]1)[n:11][c:12](-[c:15]1[n:16][cH:17][cH:18][cH:19][c:20]1[C:21]([F:22])([F:23])[F:24])[cH:13][cH:14]2