HRID2321525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID4777955

2-(isopropylthio)benzoic acid

C10H12O2S

HCID10921653

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2ccccc2SC(C)C)Cc2ccccc2C1

HCID59314166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9b3a97c55854bb385da5739b30762b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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