HRID2324962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID15273574

5-(Trifluoromethyl)pyrimidin-2-amine

C5H4F3N3

HCID57561068

5-Chloro-2-(3-methylpyridin-2-yl)-1,8-naphthyridine

C14H10ClN3

PRODUCTS

生成物

结构：Cc1cccnc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1

HCID57561053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d1735af8cc54e238da178a7c7ada543
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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