HRID1551443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

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

HCID276739

4-Morpholinesulfonamide

C4H10N2O3S

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

结构：CC(Oc1cc(Cl)nc(SCc2cccc(F)c2F)n1)C1COC(C)(C)O1

HCID178466690

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(F)c2F)n1)C1COC(C)(C)O1

HCID178466997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8118965f502f4a6d86585ec7a3aa9d1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[O-:48].[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:11]1([P:12]([CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2-[c:25]2[c:26]([CH:27]([CH3:28])[CH3:29])[cH:30][c:31]([CH:32]([CH3:33])[CH3:34])[cH:35][c:36]2[CH:37]([CH3:38])[CH3:39])[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[CH:124](=[CH:125][C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)=[O:135])[c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Cl-:78].[Cl:51][c:52]1[n:53][c:54]([S:68][CH2:69][c:70]2[c:71]([F:77])[c:72]([F:76])[cH:73][cH:74][cH:75]2)[n:55][c:56]([O:58][CH:59]([CH3:60])[CH:61]2[O:62][C:63]([CH3:66])([CH3:67])[O:64][CH2:65]2)[cH:57]1.[Cs+:49].[Cs+:50].[NH4+:79].[O:1]1[CH2:2][CH2:3][N:4]([S:7](=[O:8])(=[O:9])[NH2:10])[CH2:5][CH2:6]1.[O:80]1[CH2:81][CH2:82][O:83][CH2:84][CH2:85]1.[Pd:86].[Pd:87]>>[O:1]1[CH2:2][CH2:3][N:4]([S:7](=[O:8])(=[O:9])[NH:10][c:52]2[n:53][c:54]([S:68][CH2:69][c:70]3[c:71]([F:77])[c:72]([F:76])[cH:73][cH:74][cH:75]3)[n:55][c:56]([O:58][CH:59]([CH3:60])[CH:61]3[O:62][C:63]([CH3:66])([CH3:67])[O:64][CH2:65]3)[cH:57]2)[CH2:5][CH2:6]1