HRID1229276

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

结构：CC(C)C1C(=O)NCCN1Cc1nc2c(N3CCOCC3)nc(Cl)nc2n1C

HCID59605346

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCNC(=O)C3C(C)C)n(C)c2n1

HCID59605810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27107882ba6f4bcda0354b734f763af8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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