HRID803829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(N)cc1

HCID67459140

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(NS(=O)(=O)CC)cc1

HCID67458316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad60e8692c8c45df8203097f346544d1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:38]([CH3:39])[S:40](=[O:41])(=[O:42])[Cl:43].[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([O:27][CH:28]([F:29])[F:30])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[n:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:31].[CH3:44][C:45](=[O:46])[OH:47].[Cl:48][CH2:49][Cl:50].[OH2:51].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([O:27][CH:28]([F:29])[F:30])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([NH:26][S:40]([CH2:38][CH3:39])(=[O:41])=[O:42])[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[n:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:31]