HRID99020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8082

Piperidine

C5H11N

HCID15908

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

C8H17N3

结构：COC1=C(OC)C(=O)C(Cc2cccc(C(=O)O)c2OC(C)=O)=C(C)C1=O

HCID22054160

未命名化合物

PRODUCTS

生成物

结构：COC1=C(OC)C(=O)C(Cc2cccc(C(=O)N3CCCCC3)c2OC(C)=O)=C(C)C1=O

HCID22054226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c9f5b7ef2246d2bb7873ea5ff5e8d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:19]([Cl:20])[Cl:21].[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH2:8]([N:9]=[C:10]=[N:11][CH2:12][CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[CH3:18].[CH3:22][O:23][C:24]1=[C:29]([O:30][CH3:31])[C:28](=[O:32])[C:27]([CH2:33][c:34]2[c:35]([O:43][C:44]([CH3:45])=[O:46])[c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41][cH:42]2)=[C:26]([CH3:47])[C:25]1=[O:48].[ClH:7].[OH2:49]>>[CH2:1]1[CH2:2][CH2:3][N:4]([C:37]([c:36]2[c:35]([O:43][C:44]([CH3:45])=[O:46])[c:34]([CH2:33][C:27]3=[C:26]([CH3:47])[C:25](=[O:48])[C:24]([O:23][CH3:22])=[C:29]([O:30][CH3:31])[C:28]3=[O:32])[cH:42][cH:41][cH:40]2)=[O:38])[CH2:5][CH2:6]1