HRID90497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID4594376

未命名化合物

HCID15296367

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

C14H26N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2

HCID59486425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa60971b547345cc98d3c8025eef882f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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