HRID1551114

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

HCID2115239

未命名化合物

HCID18004789

tert-Butyl 2-ethylpiperazine-1-carboxylate

C11H22N2O2

PRODUCTS

生成物

结构：CCC1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)OC(C)(C)C

HCID76771346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-009c11fdd1c94409bd773643878ad714
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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