HRID956535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11268

Butanoic acid, 2-bromo-3-methyl-

C5H9BrO2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID1203613

4-(4-chlorophenyl)piperidine

C11H14ClN

PRODUCTS

生成物

结构：CC(C)C(Br)C(=O)N1CCC(c2ccc(Cl)cc2)CC1

HCID57889673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69a9e899fe0944578f5ea7a04391d8b1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][CH:2]([C:3](=[O:4])[OH:5])[CH:6]([CH3:7])[CH3:8].[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:10][c:11]1[cH:12][cH:13][c:14]([CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[cH:15][cH:16]1.[ClH:9].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1>>[Br:1][CH:2]([C:3](=[O:4])[N:20]1[CH2:19][CH2:18][CH:17]([c:14]2[cH:13][cH:12][c:11]([Cl:10])[cH:16][cH:15]2)[CH2:22][CH2:21]1)[CH:6]([CH3:7])[CH3:8]