HRID1546625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID13925294

5-Aminopyrazine-2-carbonitrile

C5H4N4

结构：COc1ccc(-c2cnc(Cl)cc2NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID59613485

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID66745448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f17f22ddaea348bebd1394721f9babf9
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:10](=[O:11])([O-:12])[O-:13].[Cl:16][c:17]1[n:18][cH:19][c:20](-[c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[c:21]([NH:23][CH2:24][C:25]2([F:38])[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]2)[cH:22]1.[Cs+:14].[Cs+:15].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1.[O:103]1[CH2:104][CH2:105][O:106][CH2:107][CH2:108]1.[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:47].[Pd:48]>>[NH:1]([c:2]1[n:3][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1)[c:17]1[n:18][cH:19][c:20](-[c:39]2[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[c:21]([NH:23][CH2:24][C:25]2([F:38])[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]2)[cH:22]1