HRID835895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID46223839

6-Chloro-2-methylpyridine-3-carboxylic acid

C7H6ClNO2

结构：CC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1

HCID65449001

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(Cl)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1C

HCID72234642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a69323c227294bce9e4148823406b16d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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