HRID184939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID2756810

tert-Butyl 3-methylpiperazine-1-carboxylate

C10H20N2O2

HCID59212653

1-Chloro-2,3-dihydro-6-(trifluoromethyl)-1H-indene

C10H8ClF3

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CCN1C1CCc2ccc(C(F)(F)F)cc21

HCID68251357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3995f3df56f499fba0ab929280265a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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