HRID179616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6348

Carbon disulfide

CS2

HCID8028

Tetrahydrofuran

C4H8O

HCID3826051

未命名化合物

结构：CC(=O)SC(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)CNC(=O)OCc1ccc([N+](=O)[O-])cc1

HCID13730270

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：C[SiH](C)OCC(C1C(=O)NC1SC(=S)SC(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)CNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(C)(C)C

HCID178504537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7da7c5e5c8f74849aa76bc97a52b94e7
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:1](=[O:2])([CH3:3])[S:4][CH:5]([CH2:6][NH:7][C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1)[CH2:21][NH:22][C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1.[C:42]([O:43][CH:46]1[CH:47]([CH:51]([CH2:52][O:53][SiH:54]([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])[C:48](=[O:50])[NH:49]1)(=[O:44])[CH3:45].[CH3:36][O-:37].[CH3:61][OH:62].[CH3:69][C:70](=[O:71])[OH:72].[Na+:38].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:68].[S:39]=[C:40]=[S:41]>>[S:4]([CH:5]([CH2:6][NH:7][C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1)[CH2:21][NH:22][C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1)[C:40]([S:39][CH:46]1[CH:47]([CH:51]([CH2:52][O:53][SiH:54]([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])[C:48](=[O:50])[NH:49]1)=[S:41]