HRID817593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID10419219

5-(CHLOROMETHYL)-1-METHYL-1H-1,2,4-TRIAZOLE

C4H6ClN3

结构：CC(C)(C)c1cc2nnn(-c3ccccc3)c2[nH]c1=O

HCID135834124

未命名化合物

PRODUCTS

生成物

结构：Cn1ncnc1COc1nc2c(cc1C(C)(C)C)nnn2-c1ccccc1

HCID9820414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cf0cad7e13a4d08bd534906a1959edc
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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