HRID320171

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

HCID11155794

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

C33H49P

HCID47323401

未命名化合物

结构：CCOC(=O)C(C)Oc1cc(Cl)nc(SCc2cccc(F)c2F)n1

HCID87856082

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)Oc1cc(NS(=O)(=O)c2ccc(C(=O)NC(C)(C)C)o2)nc(SCc2cccc(F)c2F)n1

HCID178472178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb6731e107b74ef99594c3a1e64b7722
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

[C:51](=[O:52])([O-:53])[O-:54].[CH2:57]([CH3:58])[O:59][C:60]([CH:61]([CH3:62])[O:63][c:64]1[n:65][c:66]([S:71][CH2:72][c:73]2[c:74]([F:80])[c:75]([F:79])[cH:76][cH:77][cH:78]2)[n:67][c:68]([Cl:70])[cH:69]1)=[O:81].[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[c:32]([CH:33]([CH3:34])[CH3:35])[cH:36][c:37]([CH:38]([CH3:39])[CH3:40])[cH:41][c:42]2[CH:43]([CH3:44])[CH3:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cs+:55].[Cs+:56].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][C:13]([CH3:14])([CH3:15])[CH3:16])[o:9]1.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89]>>[NH:1]([S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:10](=[O:11])[NH:12][C:13]([CH3:14])([CH3:15])[CH3:16])[o:9]1)[c:68]1[n:67][c:66]([S:71][CH2:72][c:73]2[c:74]([F:80])[c:75]([F:79])[cH:76][cH:77][cH:78]2)[n:65][c:64]([O:63][CH:61]([C:60]([O:59][CH2:57][CH3:58])=[O:81])[CH3:62])[cH:69]1