HRID119776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16844

Acetamide, 2-chloro-N,N-diethyl-

C6H12ClNO

HCID30165

Iodide ion

I-

结构：CC(=O)SCC(Cc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1

HCID10215552

Benzoic acid, 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-

C19H19NO4S

PRODUCTS

生成物

结构：CCN(CC)C(=O)COC(=O)c1cccc(NC(=O)C(CSC(C)=O)Cc2ccccc2)c1

HCID15670248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16a1a42f3b5c48c3a12f3c030ea065c0
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:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:35][CH2:36][C:37](=[O:38])[N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[I-:27].[K+:26].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][c:10]1[cH:11][c:12]([C:13](=[O:14])[O:15][CH2:36][C:37](=[O:38])[N:39]([CH2:40][CH3:41])[CH2:42][CH3:43])[cH:16][cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1