HRID109907

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2735647

1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid

C11H19NO4

HCID16775732

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1

HCID57656778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ee7e064c2b046cbbc331270a38398e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:39]([CH3:40])([CH3:41])([CH3:42])[O:43][C:44](=[O:45])[N:46]1[CH2:47][CH:48]([C:52](=[O:53])[OH:54])[CH2:49][CH2:50][CH2:51]1.[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl:2][c:3]1[cH:4][c:5]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:6][cH:7][c:8]1[Cl:9].[Cl:65][CH2:66][Cl:67].[ClH:1].[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:2][c:3]1[cH:4][c:5]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([C:52]([CH:48]3[CH2:47][N:46]([C:44]([O:43][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:45])[CH2:51][CH2:50][CH2:49]3)=[O:53])[CH2:17][CH2:18]2)[cH:6][cH:7][c:8]1[Cl:9]