HRID702873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6371

Phosgene

CCl2O

HCID7622

Tributylamine

C12H27N

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-10dfb1106e604f7891e04d4f9b71a663
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:16][CH2:17][CH2:18][CH2:19][N:20]([CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH2:27][CH3:28].[CH3:29][N:30]([C:31]([c:32]1[c:33]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]1)=[O:45])[CH3:46].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:1][C:2]([Cl:3])=[O:4].[K+:48].[NH2:5][c:6]1[n:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[n:11]1.[OH-:47].[OH2:55]>>[C:2](=[O:4])([NH:5][c:6]1[n:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[n:11]1)[NH:44][S:41]([c:33]1[c:32]([C:31]([N:30]([CH3:29])[CH3:46])=[O:45])[cH:37][cH:36][c:35]([N+:38](=[O:39])[O-:40])[cH:34]1)(=[O:42])=[O:43]