HRID1213590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID75378

4-Bromo-2-fluoroanisole

C7H6BrFO

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID55136662

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)cc1F

HCID67221582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1934400138e49dc9a4f15f916c1f3a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:7][c:8]1[cH:9][c:10]([F:16])[c:11]([O:14][CH3:15])[cH:12][cH:13]1.[C:1](=[O:2])([O-:3])[O-:4].[Cs+:5].[Cs+:6].[NH2:17][c:18]1[c:19]([C:20](=[O:21])[NH:22][c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:30][cH:31][cH:32][n:33]1.[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[OH2:40].[Pd:41].[Pd:42]>>[c:8]1([NH:17][c:18]2[c:19]([C:20](=[O:21])[NH:22][c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[cH:30][cH:31][cH:32][n:33]2)[cH:9][c:10]([F:16])[c:11]([O:14][CH3:15])[cH:12][cH:13]1