HRID2150577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：C=CCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)C(=O)OCC)C1=O

HCID72665854

未命名化合物

PRODUCTS

生成物

结构：C=CCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C=O)CC)C1=O

HCID76834750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8282d290a4fc4f439c602882dee00550
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([Cl:2])(=[O:3])[C:4]([Cl:5])=[O:6].[CH2:11]([CH:12]=[CH2:13])[CH:14]1[C:15](=[O:42])[N:16]([CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:40][CH3:41])[CH:17]([c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[CH:18]([c:20]2[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]2)[CH2:19]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:50][CH2:51][Cl:52].[OH2:53]>>[CH2:11]([CH:12]=[CH2:13])[CH:14]1[C:15](=[O:42])[N:16]([CH:34]([CH:35]=[O:36])[CH2:40][CH3:41])[CH:17]([c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[CH:18]([c:20]2[cH:21][c:22]([Cl:26])[cH:23][cH:24][cH:25]2)[CH2:19]1