HRID822037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID19389133

未命名化合物

结构：FC(F)(F)c1cccc(CNCC(c2ccccc2)c2ccccc2)c1Cl

HCID58913799

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cccc(CN(CCCOc2cccc(Br)c2)CC(c2ccccc2)c2ccccc2)c1Cl

HCID59701479

N-[3-(3-Bromophenoxy)propyl]-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-β-phenylbenzeneethanamine

C31H28BrClF3NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd5a7ecf14a64b50972b55fa84f19d92
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:9][CH2:10][CH2:11][CH2:12][O:13][c:14]1[cH:15][c:16]([Br:20])[cH:17][cH:18][cH:19]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:48][C:49]#[N:50].[Cl:21][c:22]1[c:23]([CH2:24][NH:25][CH2:26][CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47].[I-:7].[K+:5].[K+:6].[Na+:8]>>[CH2:10]([CH2:11][CH2:12][O:13][c:14]1[cH:15][c:16]([Br:20])[cH:17][cH:18][cH:19]1)[N:25]([CH2:24][c:23]1[c:22]([Cl:21])[c:43]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:41][cH:40]1)[CH2:26][CH:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1