HRID2145390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6367

Acetyl chloride

C2H3ClO

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C(NC(=O)OCc1ccccc1)C(SCCNC(=O)OC(C)(C)C)c1ccccc1

HCID68605304

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)OCc1ccccc1)C(SCCN)c1ccccc1

HCID68604642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fe9311024eb45b7a44f25665c88483a
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[S:24][CH2:25][CH2:26][NH:27][C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34].[CH3:35][OH:36].[CH3:37][C:38](=[O:39])[Cl:40].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[S:24][CH2:25][CH2:26][NH2:27]