HRID102501

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

HCID45080566

Azetidine-1-sulfonamide

C3H8N2O2S

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

HCID86619874

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Oc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1

HCID59558746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-605c00fbb7244e8fa4c547e125e53ffe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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