HRID947371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID7622

Tributylamine

C12H27N

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID31374

Dimethylacetamide

C4H9NO

HCID61400

Benzene, 4-ethenyl-1,2-dimethoxy-

C10H12O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1Nc1ccc(F)cc1

HCID68956988

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=Cc2ccc(C(=O)OC(C)(C)C)c(Nc3ccc(F)cc3)c2)cc1OC

HCID68960523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cb05edefc1c4561b4f53ae4ef7443bf
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

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