HRID163131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13139

Diethyl phosphorochloridate

C4H10ClO3P

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID19567

3-(2-Chlorophenyl)-2-propenoic acid

C9H7ClO2

HCID870794

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(N(CCN(C)C)C(=O)C=Cc2ccccc2Cl)CC1

HCID53994581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38d06f5362b64bd48844161e6b6d8cd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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