HRID2340211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID256426

4,4-diethoxybut-1-ene

C8H16O2

HCID22019090

3-Bromo-N-cyclopropyl-4-fluorobenzamide

C10H9BrFNO

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

HCID22019163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f4fb51131394ed8bca6bde12bf8e0cf
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

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