HRID934472

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

反应SMILES：CC(N)c1cc(F)c(NS(C)(=O)=O)c(F)c1

HCID66855738

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

C9H12F2N2O2S

PRODUCTS

产物

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

HCID44815852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0bee093fd8934eb788cd31e985a65677
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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