HRID1222648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID5784

2,5-Dichlorobenzoic acid

C7H4Cl2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID17750349

tert-Butyl [2-oxo-2-(piperazin-1-yl)ethyl]carbamate

C11H21N3O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1

HCID59559606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49c916a79b8543cca872149b10437ffa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48]([NH:49][CH2:50][C:51]([N:52]1[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]1)=[O:58])=[O:59].[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[Cl:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][c:27]([Cl:30])[cH:28][cH:29]1.[ClH:42].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[Cl:20][c:21]1[c:22]([C:23](=[O:25])[N:55]2[CH2:54][CH2:53][N:52]([C:51]([CH2:50][NH:49][C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:59])=[O:58])[CH2:57][CH2:56]2)[cH:26][c:27]([Cl:30])[cH:28][cH:29]1