HRID834059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

HCID5360545

Sodium

结构：CCOC(=O)C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)n1cccc1

HCID70605038

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(C)=O)CSC12)n1cccc1

HCID70606335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8809e860f82f4d9fbd454e26e63c91e1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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