HRID195816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8821

Ethyl acrylate

C5H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(Br)cc2)C(O)C1

HCID54537313

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2O)cc1

HCID86604399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35fa4b9e89b34ad791fa614095630736
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:23][c:24]1[cH:25][cH:26][c:27]([CH:30]2[CH:31]([OH:43])[CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]2)[cH:28][cH:29]1.[C:44]([CH:45]=[CH2:46])(=[O:47])[O:48][CH2:49][CH3:50].[CH3:52][C:53](=[O:54])[O-:55].[Na+:51].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[Pd+2:61].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[c:24]1([CH:46]=[CH:45][C:44](=[O:47])[O:48][CH2:49][CH3:50])[cH:25][cH:26][c:27]([CH:30]2[CH:31]([OH:43])[CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]2)[cH:28][cH:29]1