HRID321887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6560

2-Methyl-1-propanol

C4H10O

HCID166653

Hydride

H-

结构：C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2Cl)cc(F)c1NS(C)(=O)=O

HCID74382385

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2OCC(C)C)cc(F)c1NS(C)(=O)=O

HCID74382684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-971b146858394aedba2b6feedaa4f16c
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

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