HRID196695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID6348

Carbon disulfide

CS2

HCID8857

Ethyl acetate

C4H8O2

HCID5360545

Sodium

HCID13175758

未命名化合物

结构：CC(=O)OC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C

HCID173232100

未命名化合物

PRODUCTS

生成物

结构：CC(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)SC(=S)SC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C

HCID178457995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e335dea9dfb48bb8286aac5aebf133c
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

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