HRID196483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15510

Cyclopentanethiol

C5H10S

HCID3280088

未命名化合物

结构：COC(=O)c1ccc(-n2ncc(C(=O)OC(C)(C)C)c2Cl)cc1

HCID57437894

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-n2ncc(C(=O)OC(C)(C)C)c2SC2CCCC2)cc1

HCID59516116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205ed668c10e4f919ca3eaea831500c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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