HRID290777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID118946

4,6-Dimethoxy-2-pyrimidinamine

C6H9N3O2

结构：CN(C)C(=O)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O

HCID22066001

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)N(C)C)n1

HCID15335261

2-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-N,N-dimethyl-4-nitrobenzamide

C16H18N6O8S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27d6af79090e41d98ada2c278f718321
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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