HRID304316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID117782

1-Piperidinepropanoic acid

C8H15NO2

结构：CC(C)(C)[Si](C)(C)Oc1ccccc1-c1cc(-c2cccc(N)c2)c(C#N)c(N)n1

HCID59769674

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)Oc1ccccc1-c1cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c(C#N)c(N)n1

HCID69144979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad46d90f7e4f472aa99cda6b67f6d9a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:51][C:52]#[N:53].[Cl:12][C:13]([C:14]([Cl:15])=[O:16])=[O:17].[Cl:48][CH2:49][Cl:50].[N:1]1([CH2:7][CH2:8][C:9](=[O:10])[OH:11])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:18][c:19]1[c:20]([C:21]#[N:22])[c:23](-[c:41]2[cH:42][c:43]([NH2:47])[cH:44][cH:45][cH:46]2)[cH:24][c:25](-[c:27]2[c:28]([O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[cH:29][cH:30][cH:31][cH:32]2)[n:26]1>>[N:1]1([CH2:7][CH2:8][C:9](=[O:11])[NH:47][c:43]2[cH:42][c:41](-[c:23]3[c:20]([C:21]#[N:22])[c:19]([NH2:18])[n:26][c:25](-[c:27]4[c:28]([O:33][Si:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])[cH:29][cH:30][cH:31][cH:32]4)[cH:24]3)[cH:46][cH:45][cH:44]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1