HRID2347346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID21097504

未命名化合物

HCID57501467

未命名化合物

HCID70968436

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C(C)NC(=O)COc2ccc(C(C)(C)C)c(F)c2)ccc1NS(C)(=O)=O

HCID21097440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bafaf6a9d9a246efad6fc515f1279711
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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