HRID2133609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15807

2-Ethylbenzimidazole

C9H10N2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC1(C)CN(C2COC2)CCN1C(=O)c1nc2c(N3CCOCC3)nc(Cl)nc2s1

HCID59606073

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCN(C4COC4)CC3(C)C)sc2n1

HCID59605578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be660fb73c014689aa541a4cd4b02f7b
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:42](=[O:43])([O-:44])[O-:45].[CH2:31]([CH3:32])[c:33]1[nH:34][c:35]2[c:36]([n:37]1)[cH:38][cH:39][cH:40][cH:41]2.[Cl:1][c:2]1[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([C:11](=[O:12])[N:13]1[C:14]([CH3:23])([CH3:24])[CH2:15][N:16]([CH:19]3[CH2:20][O:21][CH2:22]3)[CH2:17][CH2:18]1)[n:10]2.[Cs+:46].[Cs+:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:53].[Pd:54]>>[c:2]1(-[n:34]2[c:33]([CH2:31][CH3:32])[n:37][c:36]3[c:35]2[cH:41][cH:40][cH:39][cH:38]3)[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([C:11](=[O:12])[N:13]1[C:14]([CH3:23])([CH3:24])[CH2:15][N:16]([CH:19]3[CH2:20][O:21][CH2:22]3)[CH2:17][CH2:18]1)[n:10]2