HRID2136994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID15807

2-Ethylbenzimidazole

C9H10N2

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

HCID6420287

5-Amino-1-methyl-1H-imidazole-4-carboxamide

C5H8N4O

HCID59603472

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=O)n(C)c2n1

HCID59605987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64f93bca9919411d96d28bd1338fa4c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH2:30]([CH3:31])[c:32]1[n:33][c:34]2[c:35]([nH:36]1)[cH:37][cH:38][cH:39][cH:40]2.[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[Cl:11][c:12]1[n:13][c:14]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:15]2[n:16][c:17]([CH:22]=[O:23])[n:18]([CH3:21])[c:19]2[n:20]1.[Cs+:45].[Cs+:46].[NH2:1][c:2]1[n:3]([CH3:4])[cH:5][n:6][c:7]1[C:8]([NH2:9])=[O:10].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:58].[Pd:59]>>[c:12]1(-[n:33]2[c:32]([CH2:30][CH3:31])[n:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]3)[n:13][c:14]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:15]2[n:16][c:17]([CH:22]=[O:23])[n:18]([CH3:21])[c:19]2[n:20]1