HRID2339631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID66879162

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1F

HCID57917710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-577fa30b5bdc4c3f801a8efd5d3caeee
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

[Br:14][CH2:15][c:16]1[c:17]([F:29])[c:18]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27][cH:28]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[I-:31].[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+:30].[OH2:42]>>[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][N:4]([CH2:15][c:16]2[c:17]([F:29])[c:18]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27][cH:28]2)[CH2:5][CH2:6]1