HRID1115902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID121718

1-(4-(Trifluoromethyl)phenyl)piperazine

C11H13F3N2

HCID130500

未命名化合物

HCID2329132

2-chloro-5-(methylsulfonyl)benzoic acid

C8H7ClO4S

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

HCID59793689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-063742b49a1c42c28a4ce0fb2c9a5ba2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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