HRID2126823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID68841267

2,6-Dimethyl-8-(pentan-3-yl)imidazo[1,2-b]pyridazine

C13H19N3

HCID68844148

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4cccc(C)n4)cc3Cl)c(C)nc12

HCID57932998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4241c0c703b40d9a5ae9bc000cba30d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:17][c:18]1[c:19]([Cl:30])[cH:20][c:21](-[c:23]2[n:24][c:25]([CH3:29])[cH:26][cH:27][cH:28]2)[s:22]1.[C:31](=[O:32])([O-:33])[O-:34].[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[cH:13][c:14]([CH3:16])[n:15]2.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Cs+:35].[Cs+:36].[N:37]#[N:38].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[CH:121][N:122]([CH3:123])[CH3:124].[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:64].[Pd:65].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[c:13](-[c:18]1[c:19]([Cl:30])[cH:20][c:21](-[c:23]3[n:24][c:25]([CH3:29])[cH:26][cH:27][cH:28]3)[s:22]1)[c:14]([CH3:16])[n:15]2