HRID2343710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID521008

1-Bromo-4-(trifluoromethoxy)benzene

C7H4BrF3O

HCID22950085

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)C(O)C(CC=Cc1ccc(OC(F)(F)F)cc1)C(=O)OC(C)C

HCID178459628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89807627bf6c494dbdff5af343206a6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:19][c:20]1[cH:21][cH:22][c:23]([O:26][C:27]([F:28])([F:29])[F:30])[cH:24][cH:25]1.[CH2:1]([CH:2]=[CH2:3])[CH:4]([C:5](=[O:6])[O:7][CH:8]([CH3:9])[CH3:10])[CH:11]([C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[OH:18].[CH3:53][C:54]#[N:55].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[Pd+2:56].[c:31]1([CH3:32])[cH:33][cH:34][cH:35][cH:36][c:37]1[P:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1[CH3:52]>>[CH2:1]([CH:2]=[CH:3][c:20]1[cH:21][cH:22][c:23]([O:26][C:27]([F:28])([F:29])[F:30])[cH:24][cH:25]1)[CH:4]([C:5](=[O:6])[O:7][CH:8]([CH3:9])[CH3:10])[CH:11]([C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[OH:18]