HRID664418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID61226

2-Propene-1,1-diol diacetate

C7H10O4

HCID105144

Palladium(2+)

Pd+2

HCID18963907

6-Bromo-3,4-dihydro-2-(3-phenylpropyl)-1(2H)-isoquinolinone

C18H18BrNO

PRODUCTS

生成物

结构：CC(=O)OC(C=Cc1ccc2c(c1)CCN(CCCc1ccccc1)C2=O)OC(C)=O

HCID54355062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe842316140249189a55ed2099cba231
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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