HRID138851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID58447915

未命名化合物

HCID178451180

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(F)c(CC(=O)OC(C)(C)C)cc2C)ccn1

HCID58447700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b406b11ffe154bd38b60caa5f0eef4a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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