HRID295711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID17861008

未命名化合物

HCID59216474

4-Bromo-6-chloro-2-methylpyridazin-3(2H)-one

C5H4BrClN2O

PRODUCTS

生成物

结构：Cn1nc(Cl)cc(Nc2ccc(S(C)(=O)=O)cn2)c1=O

HCID66742534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae7ded629209499b83ae6ccd108797c0
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[c:3](=[O:10])[n:4]([CH3:9])[n:5][c:6]([Cl:8])[cH:7]1.[C:64](=[O:65])([O-:66])[O-:67].[CH3:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([NH2:21])[n:19][cH:20]1.[Cs+:68].[Cs+:69].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[c:31]3[c:55]([cH:56][cH:57][cH:58]2)[C:52]([CH3:53])([CH3:54])[c:34]2[c:33]([c:38]([P:39]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[cH:37][cH:36][cH:35]2)[O:32]3)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:2]1([NH:21][c:18]2[cH:17][cH:16][c:15]([S:12]([CH3:11])(=[O:13])=[O:14])[cH:20][n:19]2)[c:3](=[O:10])[n:4]([CH3:9])[n:5][c:6]([Cl:8])[cH:7]1