HRID1232607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID61140

n-Butyl chloroformate

C5H9ClO2

结构：CC(C)Cc1cc(-c2cccc(C(=O)Cn3cnc4ccccc43)c2)c(S(=O)(=O)NC(C)(C)C)s1

HCID67132872

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(C(=O)Cn2cnc3ccccc32)c1

HCID56965019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0232c68091724071a3d0d759d59708f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[Cl:43][C:44](=[O:45])[O:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl:51][CH2:52][Cl:53].[Na+:40].[Na+:41].[OH2:42].[n:1]1([CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15](-[c:19]3[c:20]([S:28](=[O:29])(=[O:30])[NH:31][C:32]([CH3:33])([CH3:34])[CH3:35])[s:21][c:22]([CH2:24][CH:25]([CH3:26])[CH3:27])[cH:23]3)[cH:16][cH:17][cH:18]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15](-[c:19]3[c:20]([S:28](=[O:29])(=[O:30])[NH:31][C:44](=[O:45])[O:46][CH2:47][CH2:48][CH2:49][CH3:50])[s:21][c:22]([CH2:24][CH:25]([CH3:26])[CH3:27])[cH:23]3)[cH:16][cH:17][cH:18]2)[cH:2][n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2