HRID691900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12765

Benzenethiol, p-methoxy-

C7H8OS

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID12953535

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(SCC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1

HCID20693336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f36836e8433249f9ab8a65edab478168
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH2:11][OH:12])[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21].[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([SH:40])[cH:38][cH:39]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:41][CH2:42][Cl:43].[ClH:22].[S:51]([Cl:52])([CH3:53])(=[O:54])=[O:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH2:11][S:40][c:37]1[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:39][cH:38]1)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21]