HRID2343195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19859

4-Bromo-2-chlorophenol

C6H4BrClO

HCID23938

Palladium

结构：CC(C)(C)OC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1ccccc1

HCID67342196

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1NC(=O)c1ccccc1

HCID67343100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea86c8f1b0064fd6a7f75376b0a8bb03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:10](=[O:11])([O-:12])[OH:13].[C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)(=[O:25])[NH:26][c:27]1[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37][c:38]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:39]1.[CH3:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[CH3:15][CH2:16][OH:17].[Na+:14].[OH2:133].[OH:1][c:2]1[cH:3][cH:4][c:5]([Br:6])[cH:7][c:8]1[Cl:9].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[OH:1][c:2]1[cH:3][cH:4][c:5](-[c:38]2[cH:37][cH:36][c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[c:27]([NH:26][C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[cH:39]2)[cH:7][c:8]1[Cl:9]