HRID2144021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID639844

Methyl indole-6-carboxylate

C10H9NO2

HCID3865312

4-Fluoro-2-hydroxyphenylboronic acid

C6H6BFO3

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID11175076

Methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

C16H18BrNO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(F)cc3O)[nH]c2c1

HCID67343580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d819f5675514ec586020803fcbc92c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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