HRID137058

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

HCID66855738

N-[4-(1-Aminoethyl)-2,6-difluorophenyl]methanesulfonamide

C9H12F2N2O2S

HCID67046931

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1CC1(C)c1ccc(C(F)(F)F)c(F)c1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

HCID73127885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b4ee24a5e134df59b4b326da49214d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[ClH:1].[F:18][c:19]1[cH:20][c:21]([C:29]2([CH3:35])[CH:30]([C:32](=[O:33])[OH:34])[CH2:31]2)[cH:22][cH:23][c:24]1[C:25]([F:26])([F:27])[F:28].[NH2:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]([F:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[c:9]([F:11])[cH:10]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[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]([CH3:4])[c:5]1[cH:6][c:7]([F:17])[c:8]([NH:12][S:13](=[O:14])(=[O:15])[CH3:16])[c:9]([F:11])[cH:10]1)[C:32]([CH:30]1[C:29]([c:21]2[cH:20][c:19]([F:18])[c:24]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:22]2)([CH3:35])[CH2:31]1)=[O:33]