HRID137464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate Ion

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID80376

Cyclopropanecarboxamide

C4H7NO

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID86648954

未命名化合物

PRODUCTS

产物

HCID59618273

2,6-Dichloro-4-Cyano-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide

C17H12Cl2N4O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-43fe2c93f7b247dea0ed1c381ba74a63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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