HRID1118717

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

HCID8857

Ethyl acetate

C4H8O2

HCID15953

Methanesulfonic acid, butyl ester

C5H12O3S

HCID19660

Carbonate

CO3-2

结构：O=c1c(N2CCNCC2)nccn1CCOc1cc(F)c(F)cc1F

HCID10405848

2(1H)-Pyrazinone, 3-(1-piperazinyl)-1-[2-(2,4,5-trifluorophenoxy)ethyl]-

C16H17F3N4O2

PRODUCTS

生成物

结构：CCCCN1CCN(c2nccn(CCOc3cc(F)c(F)cc3F)c2=O)CC1

HCID10341498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10d02298a2bf4e34885f0fab140a0f48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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