HRID139343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID9795358

未命名化合物

HCID21268370

1-(3-Methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

C14H19N3O

PRODUCTS

生成物

结构：Cc1cccc(N2CNC(=O)C23CCN(Cc2cncn2Cc2ccc(C#N)cc2)CC3)c1

HCID9889465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0dc32c2291f4ead9df62519439c262b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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