HRID1541829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

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

HCID16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

C30H43O2P

HCID22219867

tert-Butyl 3-ethylpiperazine-1-carboxylate

C11H22N2O2

HCID23233570

未命名化合物

PRODUCTS

生成物

结构：CCC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID123927615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98f9bd9add1a4b419426033e4910c06e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][cH:7]1.[CH2:19]([CH3:20])[CH:21]1[CH2:22][N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25][NH:26]1.[CH3:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1.[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[c:55]([O:56][CH:57]([CH3:58])[CH3:59])[cH:60][cH:61][cH:62][c:63]2[O:64][CH:65]([CH3:66])[CH3:67])[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1.[ClH:18].[Na+:39].[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.[Pd:73].[Pd:74]>>[c:2]1([N:26]2[CH:21]([CH2:19][CH3:20])[CH2:22][N:23]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:25]2)[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][cH:7]1