HRID2350591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID5325480

1-cyano-1-methylethyl chloroformate

C5H6ClNO2

HCID21701946

4-[3-(3,7-Diazabicyclo[3.3.1]non-3-yl)-2-hydroxypropoxy]benzonitrile

C17H23N3O2

PRODUCTS

生成物

结构：CC(C)(C#N)OC(=O)N1CC2CC(CN(CC(O)COc3ccc(C#N)cc3)C2)C1

HCID54344233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f6ea0a9122349b7b3f28f86d333da90
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

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