HRID1237476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

反应SMILES：CC1(c2ccc(C(F)(F)F)cc2)CC1C(=O)O

HCID62388158

未命名化合物

HCID77250835

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(NC(=O)C1CC1(C)c1ccc(C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)cc1

HCID70968430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a998d371168448098522a66c5adb1ac3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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]([CH2:50][CH3:51])[c:52]1[cH:53][cH:54][c:55]([NH:58][S:59](=[O:60])(=[O:61])[CH3:62])[cH:56][cH:57]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]([CH2:50][CH3:51])[c:52]2[cH:53][cH:54][c:55]([NH:58][S:59](=[O:60])(=[O:61])[CH3:62])[cH:56][cH:57]2)[CH2:9]1