HRID195365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6386

tert-Butyl alcohol

C4H10O

HCID8083

Morpholine

C4H9NO

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

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

结构：Cc1nc2ccc(Br)cc2c(-c2cc(F)c(F)cc2F)c1S(C)(=O)=O

HCID12001726

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc(N3CCOCC3)cc2c(-c2cc(F)c(F)cc2F)c1S(C)(=O)=O

HCID12001724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0788962fd1964c768c3d99c3ad76be5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:41][c:42]1[cH:43][c:44]2[c:45](-[c:57]3[c:58]([F:65])[cH:59][c:60]([F:64])[c:61]([F:63])[cH:62]3)[c:46]([S:53](=[O:54])(=[O:55])[CH3:56])[c:47]([CH3:52])[n:48][c:49]2[cH:50][cH:51]1.[C:35](=[O:36])([O-:37])[O-:38].[C:72]([OH:73])([CH3:74])([CH3:75])[CH3:76].[CH2:66]1[CH2:67][O:68][CH2:69][CH2:70][NH:71]1.[CH3:77][CH2:78][CH2:79][CH2:80][CH2:81][CH2:82][CH3:83].[CH:140]([Cl:141])([Cl:142])[Cl:143].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([CH:17]([CH3:18])[CH3:19])[cH:20][c:21]([CH:22]([CH3:23])[CH3:24])[cH:25][c:26]2[CH:27]([CH3:28])[CH3:29])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[Cs+:39].[Cs+:40].[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]>>[c:42]1([N:71]2[CH2:66][CH2:67][O:68][CH2:69][CH2:70]2)[cH:43][c:44]2[c:45](-[c:57]3[c:58]([F:65])[cH:59][c:60]([F:64])[c:61]([F:63])[cH:62]3)[c:46]([S:53](=[O:54])(=[O:55])[CH3:56])[c:47]([CH3:52])[n:48][c:49]2[cH:50][cH:51]1