HRID309007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID43156229

未命名化合物

PRODUCTS

生成物

结构：CCC(C)NC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID66878539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f59aff2b35044c2d96655bc3c17234dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH3:37][C:38]#[N:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH:14]([CH3:15])([CH2:16][CH3:17])[NH:18][C:19]([c:20]1[cH:21][c:22]([CH2:26][Cl:27])[cH:23][cH:24][cH:25]1)=[O:28].[I-:36].[K+:33].[K+:34].[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:35].[OH2:46]>>[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][N:4]([CH2:26][c:22]2[cH:21][c:20]([C:19]([NH:18][CH:14]([CH3:15])[CH2:16][CH3:17])=[O:28])[cH:25][cH:24][cH:23]2)[CH2:5][CH2:6]1