HRID942167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31275

1,4-Dioxane

C4H8O2

HCID2759834

Methyl 4-chloro-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

C9H7ClN2O2S

HCID63356706

4-Amino-3-ethoxybenzamide

C9H12N2O2

PRODUCTS

生成物

结构：CCOc1cc(C(N)=O)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12

HCID46182171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9524658597da41d08373531f7b4ab948
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Cl:14][c:15]1[c:16]2[c:17]([n:18][cH:19][n:20]1)[s:21][c:22]([C:25](=[O:26])[O:27][CH3:28])[c:23]2[CH3:24].[NH2:1][c:2]1[c:3]([O:11][CH2:12][CH3:13])[cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1.[NH4+:42].[OH-:41].[OH2:40].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[NH:1]([c:2]1[c:3]([O:11][CH2:12][CH3:13])[cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1)[c:15]1[c:16]2[c:17]([n:18][cH:19][n:20]1)[s:21][c:22]([C:25](=[O:26])[O:27][CH3:28])[c:23]2[CH3:24]