HRID180310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6386

tert-Butyl alcohol

C4H10O

HCID8082

Piperidine

C5H11N

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(N2CCOCC2)c1S(C)(=O)=O

HCID12001810

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc(N3CCCCC3)cc2c(N2CCOCC2)c1S(C)(=O)=O

HCID12001804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cabfdee8b78c4b31a6fc77dff3c52474
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]([N:57]3[CH2:58][CH2:59][O:60][CH2:61][CH2:62]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:69]([OH:70])([CH3:71])([CH3:72])[CH3:73].[CH2:63]1[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]1.[CH3:74][CH2:75][CH2:76][CH2:77][CH2:78][CH2:79][CH3:80].[CH:137]([Cl:138])([Cl:139])[Cl:140].[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:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:81].[Pd:82]>>[c:42]1([N:66]2[CH2:65][CH2:64][CH2:63][CH2:68][CH2:67]2)[cH:43][c:44]2[c:45]([N:57]3[CH2:58][CH2:59][O:60][CH2:61][CH2:62]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