HRID111282

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

HCID67046994

未命名化合物

HCID70968436

未命名化合物

PRODUCTS

生成物

结构：COC1(c2ccc(C(F)(F)F)cc2)CC1C(=O)NC(C)c1ccc(NS(C)(=O)=O)c(C)c1

HCID75076059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4d8d2ba33964a4cbc58273340a43747
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3]1([c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[CH:4]([C:6](=[O:7])[OH:8])[CH2:5]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[ClH:50].[NH2:51][CH:52]([CH3:53])[c:54]1[cH:55][c:56]([CH3:65])[c:57]([NH:60][S:61](=[O:62])(=[O:63])[CH3:64])[cH:58][cH:59]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH3:1][O:2][C:3]1([c:9]2[cH:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[CH:4]([C:6](=[O:8])[NH:51][CH:52]([CH3:53])[c:54]2[cH:55][c:56]([CH3:65])[c:57]([NH:60][S:61](=[O:62])(=[O:63])[CH3:64])[cH:58][cH:59]2)[CH2:5]1