HRID120183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID57685385

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2ncsc2n1

HCID59605632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8377d55f13b945b8a30cfdcc34aeb9e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:28](=[O:29])([O-:30])[O-:31].[CH2:17]([CH3:18])[c:19]1[nH:20][c:21]2[c:22]([n:23]1)[cH:24][cH:25][cH:26][cH:27]2.[Cl:1][c:2]1[n:3][c:4]([N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[c:5]2[c:6]([n:7]1)[s:8][cH:9][n:10]2.[Cs+:32].[Cs+:33].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]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.[Pd:40].[Pd:41]>>[c:2]1(-[n:20]2[c:19]([CH2:17][CH3:18])[n:23][c:22]3[c:21]2[cH:27][cH:26][cH:25][cH:24]3)[n:3][c:4]([N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[c:5]2[c:6]([n:7]1)[s:8][cH:9][n:10]2