HRID296112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19785295

Methyl 4-amino-3-methylpiperidine-1-carboxylate

C8H16N2O2

HCID59402574

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N1CCC(NC(=O)c2[nH]c(C)c(Cl)c2C#N)C(C)C1

HCID72274507

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e833825cd3fa4af8ba086e71a326f2ea
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

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