HRID943284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

结构：CCOC(=O)c1cnc(S(C)=O)nc1NCc1ccc(OC)c(Cl)c1

HCID22665570

Ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-(methanesulfinyl)pyrimidine-5-carboxylate

C16H18ClN3O4S

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(O)nc1NCc1ccc(OC)c(Cl)c1

HCID178469857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d96d5a65d55b41aa84e2165988af91a4
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

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