HRID111898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID69845

4-Aminobenzo-2,1,3-thiadiazole

C6H5N3S

HCID95417

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

C17H14O

3 次

HCID59012019

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1CCN(C(=O)c2ccc(Nc3cccc4nsnc34)cc2)C1

HCID24794880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9516df1113b45e69cc91113bb8c6115
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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