HRID173858

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

HCID21097518

N-[4-(1-Aminoethyl)-2-fluorophenyl]methanesulfonamide

C9H13FN2O2S

结构：CC1(c2ccc(C(C)(C)C(F)(F)F)cc2)CC1C(=O)O

HCID67046674

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1CC1(C)c1ccc(C(C)(C)C(F)(F)F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1

HCID75076114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-153955a96bd0458e981f9ebd6d8c9fbd
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

[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:6][C:7]1([c:13]2[cH:14][cH:15][c:16]([C:19]([C:20]([F:21])([F:22])[F:23])([CH3:24])[CH3:25])[cH:17][cH:18]2)[CH:8]([C:10](=[O:11])[OH:12])[CH2:9]1.[ClH:50].[NH2:51][CH:52]([CH3:53])[c:54]1[cH:55][c:56]([F:65])[c:57]([NH:60][S:61](=[O:62])(=[O:63])[CH3:64])[cH:58][cH:59]1.[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:6][C:7]1([c:13]2[cH:14][cH:15][c:16]([C:19]([C:20]([F:21])([F:22])[F:23])([CH3:24])[CH3:25])[cH:17][cH:18]2)[CH:8]([C:10](=[O:12])[NH:51][CH:52]([CH3:53])[c:54]2[cH:55][c:56]([F:65])[c:57]([NH:60][S:61](=[O:62])(=[O:63])[CH3:64])[cH:58][cH:59]2)[CH2:9]1