HRID111703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CCOC(=O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)C(C)S2

HCID10249018

Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

C18H20FN3O3S

HCID10774141

4-(bromomethyl)-5-methyl-1,3-dioxol-2-one

C5H5BrO3

PRODUCTS

生成物

结构：CCOC(=O)c1c2n(c3cc(N4CCN(Cc5oc(=O)oc5C)CC4)c(F)cc3c1=O)C(C)S2

HCID10413239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad82c3bce31f49af88994f9923286891
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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