HRID282199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID4684

4-Chlorophenol

C6H5ClO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(F)c(Cl)c1

HCID67278706

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

HCID67278292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-113c9e9da1b149a3898cce23cc879552
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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