HRID1553159

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

HCID68257

Benzene, 1-iodo-2-methoxy-

C7H7IO

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1ccc(C(=O)OC(C)(C)C)c(Nc2ccc(F)cc2)c1

HCID68959213

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C=Cc1ccc(C(=O)OC(C)(C)C)c(Nc2ccc(F)cc2)c1

HCID68966081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a796f045fdad4ffebab5b56c5e39a7b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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