HRID1535372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID411179

1-(2,4-Dichlorobenzyl)piperazine

C11H14Cl2N2

HCID67359013

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1

HCID57396815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08c43bdf3c56447588f27a1734ccc929
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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