HRID89045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

结构：CCOC(=O)C=C(C)NC1C(=O)N2C1SCC(C)(Cl)C2C(=O)OC(c1ccccc1)c1ccccc1

HCID178471601

未命名化合物

PRODUCTS

生成物

结构：CC1(Cl)CSC2C(N)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1

HCID178429789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9200723ea29b4314be17511398ed8c09
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

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