HRID1563355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6558

Isobutylamine

C4H11N

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID18374323

Ethyl 3-bromo-4-cyanobenzoate

C10H8BrNO2

PRODUCTS

生成物

HCID67405767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66ab8ba889b941fcb55685d966717317
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

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][c:12]1[C:13]#[N:14].[CH3:15][CH:16]([CH2:17][NH2:18])[CH3:19].[K+:25].[K+:26].[K+:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[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.[OH2:34].[P:20]([O-:21])([O-:22])([O-:23])=[O:24].[Pd:35].[Pd:36]>>[c:2]1([NH:18][CH2:17][CH:16]([CH3:15])[CH3:19])[cH:3][c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][c:12]1[C:13]#[N:14]