HRID2316612

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

HCID2734660

3-Chloro-4-fluorophenylboronic acid

C6H5BClFO2

结构：CCOC(=O)C1CC=C(OS(=O)(=O)C(F)(F)F)CC1

HCID9861195

Ethyl 4-[(trifluoromethanesulfonyl)oxy]cyclohex-3-ene-1-carboxylate

C10H13F3O5S

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

HCID67057759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8198d0452afe42809d1342a0217dfd98
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:31](=[O:32])([O-:33])[O-:34].[CH3:117][O:118][CH2:119][CH2:120][O:121][CH3:122].[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][cH:6][c:7]1[F:8].[F:12][C:13]([F:14])([F:15])[S:16]([O:17][C:18]1=[CH:19][CH2:20][CH:21]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:22][CH2:23]1)(=[O:29])=[O:30].[Na+:35].[Na+:36].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([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)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[cH:115][cH:116]1>>[Cl:1][c:2]1[cH:3][c:4]([C:18]2=[CH:19][CH2:20][CH:21]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:22][CH2:23]2)[cH:5][cH:6][c:7]1[F:8]