HRID2159897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8018

2-Methoxyethylamine

C3H9NO

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)nc2NCCOC)cc(F)c1NS(C)(=O)=O

HCID74382536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50668ec9f2f649b8ba137d1f9eee1d7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:32][O:33][CH2:34][CH2:35][NH2:36].[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:37].[OH2:38]>>[c:2]1([NH:36][CH2:35][CH2:34][O:33][CH3:32])[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