HRID2338466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1146

Trimethylamine

C3H9N

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID130500

未命名化合物

反应SMILES：CC(C)(C)c1c(F)cc(C2(C)CC2C(=O)O)cc1F

HCID67046933

未命名化合物

HCID77250835

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(NC(=O)C1CC1(C)c1cc(F)c(C(C)(C)C)c(F)c1)c1ccc(NS(C)(=O)=O)cc1

HCID70968450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1a4f665f2a3747fc9d555a5a12ddb7b6
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:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[c:22]([F:35])[cH:23][c:24]([C:28]2([CH3:34])[CH:29]([C:31](=[O:32])[OH:33])[CH2:30]2)[cH:25][c:26]1[F:27].[CH3:60][N:61]([CH3:62])[CH3:63].[ClH:1].[NH2:2][CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:10][cH:11]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[NH:2]([CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[cH:10][cH:11]1)[C:31]([CH:29]1[C:28]([c:24]2[cH:23][c:22]([F:35])[c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[c:26]([F:27])[cH:25]2)([CH3:34])[CH2:30]1)=[O:32]