HRID833417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID21639

2-Amino-1-(4-bromophenyl)ethanone

C8H8BrNO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID85153

Benzoic acid, 4-(pentyloxy)-

C12H16O3

PRODUCTS

生成物

结构：CCCCCOc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1

HCID18331089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae41929d783b4ddab28d2c60be507c82
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

[CH2:13]([CH2:14][CH2:15][CH2:16][CH3:17])[O:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]1.[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[Cl:49][CH2:50][Cl:51].[ClH:1].[NH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([Br:12])[cH:10][cH:11]1.[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[NH:2]([CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([Br:12])[cH:10][cH:11]1)[C:23]([c:22]1[cH:21][cH:20][c:19]([O:18][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[cH:27][cH:26]1)=[O:24]