HRID1573979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID8861

2,6-Diaminopyridine

C5H7N3

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(CN(c2cc(Cl)nn3c(C#N)cnc23)C2CC2)cc1

HCID59313757

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(c2cc(Nc3cccc(N)n3)nn3c(C#N)cnc23)C2CC2)cc1

HCID59313834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b52b8e65aa543a1a3c6f379e21cc5fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH3:98][O:99][CH2:100][CH2:101][O:102][CH3:103].[Cl:1][c:2]1[cH:3][c:4]([N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[CH:23]2[CH2:24][CH2:25]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2.[Cs+:38].[Cs+:39].[Cu:40][I:41].[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].[n:26]1[c:27]([NH2:33])[cH:28][cH:29][cH:30][c:31]1[NH2:32]>>[c:2]1([NH:32][c:31]2[n:26][c:27]([NH2:33])[cH:28][cH:29][cH:30]2)[cH:3][c:4]([N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)[CH:23]2[CH2:24][CH2:25]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2