HRID305363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6568

2-Butanol

C4H10O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID32285

3,4,5-Trimethoxyaniline

C9H13NO3

HCID95417

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

C17H14O

3 次

HCID56965724

7-Bromo-2-chlorothieno[3,2-d]pyrimidine

C6H2BrClN2S

PRODUCTS

生成物

HCID86673224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-295adb7d4ec24f6fa32f0ee0d5d3e5c8
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

[Br:1][c:2]1[cH:3][s:4][c:5]2[c:6]1[n:7][c:8]([Cl:11])[n:9][cH:10]2.[C:12](=[O:13])([O-:14])[O-:15].[CH3:18][O:19][c:20]1[cH:21][c:22]([NH2:30])[cH:23][c:24]([O:28][CH3:29])[c:25]1[O:26][CH3:27].[CH3:31][CH:32]([OH:33])[CH2:34][CH3:35].[K+:16].[K+:17].[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.[Pd:36].[Pd:37]>>[c:2]1([NH:30][c:22]2[cH:21][c:20]([O:19][CH3:18])[c:25]([O:26][CH3:27])[c:24]([O:28][CH3:29])[cH:23]2)[cH:3][s:4][c:5]2[c:6]1[n:7][c:8]([Cl:11])[n:9][cH:10]2