HRID666863

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

HCID78288

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

C7H13NO4

HCID21914814

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(CCc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)cs1

HCID86595590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01012b4b9f2f404687b80989381fabca
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

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