HRID1563677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID15458

tert-Butyl acrylate

C7H12O2

HCID105144

Palladium(2+)

Pd+2

HCID68654774

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)c(F)c1

HCID68977683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccc4e1aa370e42e5bfe64798050413de
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

[Br:1][c:2]1[cH:3][c:4]([F:22])[c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:6][cH:7]1.[C:23]([CH:24]=[CH2:25])(=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[OH2:48].[Pd+2:39]>>[c:2]1([CH:25]=[CH:24][C:23](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:3][c:4]([F:22])[c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)=[C:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:6][cH:7]1