HRID1575245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID33944

N-(2-Aminoethyl)piperidine

C7H16N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID49840328

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C)c[nH]c1CC(=O)NCCN1CCCCC1

HCID66614515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed3931db0b554e459059f649cd4a9348
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:12][C:13](=[O:14])[OH:15])[nH:8][cH:9][c:10]1[CH3:11].[CH2:26]([N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35])[CH3:36].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:52][CH2:53][Cl:54].[ClH:25].[N:16]1([CH2:22][CH2:23][NH2:24])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1.[OH2:55].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH2:12][C:13](=[O:15])[NH:24][CH2:23][CH2:22][N:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[nH:8][cH:9][c:10]1[CH3:11]