HRID205797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID16244568

1-[(4-Chlorophenyl)methyl]pyrrolidin-3-amine

C11H15ClN2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)NC1CCN(Cc2ccc(Cl)cc2)C1

HCID18426195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a503066c5b23426aa4a68559a6a4c317
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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