HRID1133326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID7294

Methyl acrylate

C4H6O2

HCID8471

Triethylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(I)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID21906635

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1

HCID57045396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed7e8534a48e4f12af4ba697ba41c5b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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