HRID2319086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID62388158

未命名化合物

HCID70968436

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2(C)c2ccc(C(F)(F)F)cc2)ccc1NS(C)(=O)=O

HCID70968439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7d096a95c814b26bb9b465f145cf9e2
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

[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:6][C:7]1([c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[CH:8]([C:10](=[O:11])[OH:12])[CH2:9]1.[ClH:47].[NH2:48][CH:49]([CH3:50])[c:51]1[cH:52][c:53]([CH3:62])[c:54]([NH:57][S:58](=[O:59])(=[O:60])[CH3:61])[cH:55][cH:56]1.[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:6][C:7]1([c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[CH:8]([C:10](=[O:12])[NH:48][CH:49]([CH3:50])[c:51]2[cH:52][c:53]([CH3:62])[c:54]([NH:57][S:58](=[O:59])(=[O:60])[CH3:61])[cH:55][cH:56]2)[CH2:9]1