HRID2314754

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

HCID19660

Carbonate

CO3-2

HCID808715

1-(pyridin-4-ylmethyl)piperazine

C10H15N3

HCID2736444

tert-butyl 4-fluorobenzoate

C11H13FO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1

HCID59737489

tert-Butyl 4-(4-(pyridin-4-ylmethyl)piperazin-1-yl)benzoate

C21H27N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bddf55d2341409fb3a499c334cd0a13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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