HRID664361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

C30H43O2P

HCID22025617

2-Fluoro-4-(methylsulfanyl)aniline

C7H8FNS

HCID59565199

未命名化合物

PRODUCTS

生成物

HCID59565225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73b8298c899d408094db2125e2150d7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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