HRID304815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID77922

tert-Butyl carbamate

C5H11NO2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(Cl)n2)c2ccccc12

HCID86660490

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1nccc(Oc2ccc(NC(=O)OC(C)(C)C)c3ccccc23)n1

HCID68322851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-416e395488104d54b7c01e39bc66e0af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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