HRID686290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

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

HCID211452

Pyrrolidine, 1-(2-(m-bromophenoxy)ethyl)-

C12H16BrNO

HCID9793866

Methyl 2-aminopyrimidine-5-carboxylate

C6H7N3O2

PRODUCTS

生成物

结构：COC(=O)c1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1

HCID59652715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3afac3f71e5944be969fb8d24278a6cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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