HRID96434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID10945667

Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester

C13H13N3O4

结构：COC(=O)c1ccc(NN=CC(=O)OCCC#N)cc1S(N)(=O)=O

HCID70213067

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NN=CC(=O)OCCC#N)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

HCID70214940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e74a09a12fe646b3b04f58651dd50b8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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