HRID300351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID736341

4-(Chloromethyl)-2-methylthiazole

C5H6ClNS

结构：CCOC(=O)COc1cc(C(C)C)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC

HCID17856206

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(C(C)C)ccc1CCN(Cc1csc(C)n1)S(=O)(=O)c1cc(C#N)ccc1OC

HCID86598015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7499b011e522434489e13152df41e763
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:31][CH3:32])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([O:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][c:25]([CH:28]([CH3:29])[CH3:30])[cH:26][cH:27]2)[cH:8]1.[C:42](=[O:43])([O-:44])[O-:45].[C:48](=[O:49])([OH:50])[O-:51].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:34][CH2:35][c:36]1[n:37][c:38]([CH3:41])[s:39][cH:40]1.[ClH:33].[K+:46].[K+:47].[Na+:52].[OH2:58]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:31][CH3:32])[c:7]([S:9](=[O:10])(=[O:11])[N:12]([CH2:13][CH2:14][c:15]2[c:16]([O:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][c:25]([CH:28]([CH3:29])[CH3:30])[cH:26][cH:27]2)[CH2:35][c:36]2[n:37][c:38]([CH3:41])[s:39][cH:40]2)[cH:8]1