HRID103839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7251

4-Chloro-2-methylaniline

C7H8ClN

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

HCID67314566

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1Nc1ccc(C(=O)c2cc(O)ccc2F)c(Cl)c1

HCID67313338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-884b6271c7e74de387e8eedf8d7540f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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