HRID117485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8449

2,4-Dichlorophenol

C6H4Cl2O

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID166653

Hydride

H-

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1

HCID11618717

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

C29H45P

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1NC(=O)c1ccccc1

HCID67343005

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1

HCID67342198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f28b8d611279438094d75c6bc4277cdb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)(=[O:19])[NH:20][c:21]1[c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31][c:32]([Br:34])[cH:33]1.[C:35]([P:36]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1-[c:47]1[c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]1[CH:59]([CH3:60])[CH3:61])([CH3:62])([CH3:63])[CH3:64].[CH3:134][CH2:135][O:136][C:137](=[O:138])[CH3:139].[CH3:140][c:141]1[cH:142][cH:143][cH:144][cH:145][cH:146]1.[H-:10].[Na+:11].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9].[OH:65][C:66]([CH2:67][C:68]([C:69](=[O:70])[OH:71])([CH2:72][C:73](=[O:74])[OH:75])[OH:76])=[O:77].[Pd:78].[Pd:79]>>[O:1]([c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9])[c:32]1[cH:31][cH:30][c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:21]([NH:20][C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:33]1