HRID827689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID31374

Dimethylacetamide

C4H9NO

HCID70801

3-Methyl-1-phenyl-1H-pyrazol-5-amine

C10H11N3

HCID95417

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

C17H14O

3 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

HCID4574913

未命名化合物

HCID57551252

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)nc2)n(-c2ccccc2)n1

HCID57551205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c131dc919939477ca307a69f92215991
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:17][C:18]1([CH3:19])[c:20]2[cH:21][cH:22][cH:23][c:24]([P:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]2[O:39][c:40]2[c:41]1[cH:42][cH:43][cH:44][c:45]2[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:72][N:73]([CH3:74])[C:75](=[O:76])[CH3:77].[CH3:78][C:79]([CH3:80])([O-:81])[CH3:82].[NH2:59][c:60]1[cH:61][c:62]([CH3:71])[n:63][n:64]1-[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[Na+:83].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:84].[Pd:85].[s:1]1[c:2]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[n:11][cH:12][c:13]([Br:16])[cH:14][cH:15]2)[n:3][cH:4][cH:5]1>>[s:1]1[c:2]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[n:11][cH:12][c:13]([NH:59][c:60]3[cH:61][c:62]([CH3:71])[n:63][n:64]3-[c:65]3[cH:66][cH:67][cH:68][cH:69][cH:70]3)[cH:14][cH:15]2)[n:3][cH:4][cH:5]1