HRID1569438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID178

Acetamide

C2H5NO

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

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：COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2nccc3cc(Oc4cc(Cl)ncn4)ccc23)cc1

HCID86638621

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2nccc3cc(Oc4cc(NC(C)=O)ncn4)ccc23)cc1

HCID23652930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c32038e15b884f1caa5dd4c50918972e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[c:21]2[n:22][cH:23][cH:24][c:25]3[cH:26][c:27]([O:31][c:32]4[n:33][cH:34][n:35][c:36]([Cl:38])[cH:37]4)[cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:112][CH2:113][O:114][C:115]([CH3:116])=[O:117].[CH3:45][C:46]([NH2:47])=[O:48].[Cs+:43].[Cs+:44].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:49].[Pd:56].[Pd:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[c:21]2[n:22][cH:23][cH:24][c:25]3[cH:26][c:27]([O:31][c:32]4[n:33][cH:34][n:35][c:36]([NH:47][C:46]([CH3:45])=[O:48])[cH:37]4)[cH:28][cH:29][c:30]23)[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1