HRID1126492

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：CC1(C)OCC(C(C)(C)Oc2cc(Cl)nc(SCc3cccc(F)c3F)n2)O1

HCID87856617

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(C(C)(C)Oc2cc(NS(=O)(=O)N3CCC3)nc(SCc3cccc(F)c3F)n2)O1

HCID69492155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4adada59d89d4d8fb35399e801198130
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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:67][CH2:68][c:69]2[c:70]([F:76])[c:71]([F:75])[cH:72][cH:73][cH:74]2)[n:53][c:54]([O:56][C:57]([CH3:58])([CH3:59])[CH:60]2[O:61][C:62]([CH3:65])([CH3:66])[O:63][CH2:64]2)[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:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:77]1[CH2:78][CH2:79][O:80][CH2:81][CH2:82]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84]>>[N:1]1([S:5](=[O:6])(=[O:7])[NH:8][c:50]2[n:51][c:52]([S:67][CH2:68][c:69]3[c:70]([F:76])[c:71]([F:75])[cH:72][cH:73][cH:74]3)[n:53][c:54]([O:56][C:57]([CH3:58])([CH3:59])[CH:60]3[O:61][C:62]([CH3:65])([CH3:66])[O:63][CH2:64]3)[cH:55]2)[CH2:2][CH2:3][CH2:4]1