HRID666011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4594376

未命名化合物

HCID46912008

tert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate

C14H26N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1

HCID66700745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0266b404d6374d84a89fae368fae9226
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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