HRID162672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID24350

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

CuI

HCID79492

Acetamide, N-(5-amino-2-methylphenyl)-

C9H12N2O

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(CN(c2ccc(OC)cn2)c2cc(Cl)nn3c(C#N)cnc23)cc1

HCID86641380

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(c2ccc(OC)cn2)c2cc(Nc3ccc(C)c(NC(C)=O)c3)nn3c(C#N)cnc23)cc1

HCID68592466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1db655c51c1945399c3ffff77af9121b
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:43](=[O:44])([O-:45])[O-:46].[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)[c:23]2[n:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2.[Cs+:47].[Cs+:48].[Cu:105][I:106].[NH2:31][c:32]1[cH:33][cH:34][c:35]([CH3:42])[c:36]([NH:38][C:39]([CH3:40])=[O:41])[cH:37]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:31][c:32]2[cH:33][cH:34][c:35]([CH3:42])[c:36]([NH:38][C:39]([CH3:40])=[O:41])[cH:37]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)[c:23]2[n:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2