HRID671321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID70615

Ethyl hydrogen malonate

C5H8O4

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID3864656

4-(2-chlorophenoxy)piperidine

C11H14ClNO

PRODUCTS

生成物

HCID66592017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f532333634f41fcb5fc54827aaf5132
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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