HRID149338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID43156221

未命名化合物

PRODUCTS

产物

HCID66877987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-07aa1bcc8dfe44de8fa1036daf17b050
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:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][Cl:14])[cH:10][cH:11][cH:12]1)=[O:15].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[I-:30].[N:16]1([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[Na+:29].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[cH:10][cH:11][cH:12]1)=[O:15]