HRID672600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID21507

2-Amino-4,6-dimethylpyridine

C7H10N2

HCID166653

Hydride

H-

结构：CCOC(=O)c1nc2cc(OC)c(OC)cc2n1S(=O)(=O)N(C)C

HCID14371279

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(C(=O)Nc3cc(C)cc(C)n3)n(S(=O)(=O)N(C)C)c2cc1OC

HCID19837071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42b14bb1a28f4f79a85e80bec124243b
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

[CH3:12][N:13]([S:14](=[O:15])(=[O:16])[n:17]1[c:18]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[n:19][c:20]2[c:21]1[cH:22][c:23]([O:28][CH3:29])[c:24]([O:26][CH3:27])[cH:25]2)[CH3:35].[CH3:38][S:39]([CH3:40])=[O:41].[Cl-:36].[H-:10].[NH2:1][c:2]1[n:3][c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[NH4+:37].[Na+:11]>>[NH:1]([c:2]1[n:3][c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1)[C:30]([c:18]1[n:17]([S:14]([N:13]([CH3:12])[CH3:35])(=[O:15])=[O:16])[c:21]2[c:20]([n:19]1)[cH:25][c:24]([O:26][CH3:27])[c:23]([O:28][CH3:29])[cH:22]2)=[O:31]