HRID203612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID66057

2-Methylpiperazine

C5H12N2

结构：CCOC(=O)c1cn(C)c2nc3c(F)c(F)c(F)cc3cc2c1=O

HCID19423688

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C)c2nc3c(F)c(N4CCNC(C)C4)c(F)cc3cc2c1=O

HCID20063299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb29bdb73af74e1c930d04e9cf2e18ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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