HRID1135728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID20822919

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(Cl)ncn2)CC1

HCID21906116

tert-Butyl 4-[(6-chloropyrimidin-4-yl)oxy]piperidine-1-carboxylate

C14H20ClN3O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCc4nc(Cl)ccc43)ncn2)CC1

HCID49848662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf2bf7b632b54f1788e494db580a2a00
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:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([O:26][c:27]2[n:28][cH:29][n:30][c:31]([Cl:33])[cH:32]2)[CH2:24][CH2:25]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][NH:10]2.[H-:12].[Na+:11].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][N:10]2[c:31]1[n:30][cH:29][n:28][c:27]([O:26][CH:23]2[CH2:22][CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24]2)[cH:32]1