HRID296339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID31404

Butylated hydroxytoluene

C15H24O

反应SMILES：C=[CH][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

HCID81998

Ethynyltributylstannane

C14H30Sn

HCID13282759

Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C7H5BrF3NO2S

反应SMILES：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

产物

HCID12194706

4-Trifluoromethyl-2-vinyl-thiazole-5-carboxylic acid ethyl ester

C9H8F3NO2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-72bc7c0a4e274fe0a71df40d78ff0717
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:31]([c:32]1[cH:33][c:34]([CH3:35])[cH:36][c:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[c:42]1[OH:43])([CH3:44])([CH3:45])[CH3:46].[CH2:16]([CH2:17][CH2:29][CH3:30])[Sn:18]([CH2:19][CH2:20][CH2:21][CH3:22])([CH2:23][CH2:24][CH2:25][CH3:26])[CH:27]=[CH2:28].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([C:12]([F:13])([F:14])[F:15])[n:8][c:9]([Br:11])[s:10]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[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>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([C:12]([F:13])([F:14])[F:15])[n:8][c:9]([CH:16]=[CH2:17])[s:10]1