HRID942956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

结构：CC(C)(Cc1c[nH]c2c(OS(=O)(=O)C(F)(F)F)cccc12)NC(=O)OC(C)(C)C

HCID86595245

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1c[nH]c2c(-c3ccsc3)cccc12)NC(=O)OC(C)(C)C

HCID69516995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e76833260cb46a2a20bca6574c36a05
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[c:15]([O:20][S:21]([C:22]([F:23])([F:24])[F:25])(=[O:26])=[O:27])[cH:16][cH:17][cH:18][c:19]12)([CH3:28])[CH3:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Pd:56].[c:114]1([P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129][cH:130][cH:131][cH:132]1.[c:57]1([P:58]([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)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([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)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([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)[cH:109][cH:110][cH:111][cH:112][cH:113]1.[s:37]1[cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[c:15](-[c:39]3[cH:38][s:37][cH:41][cH:40]3)[cH:16][cH:17][cH:18][c:19]12)([CH3:28])[CH3:29]