HRID2127584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

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+

HCID12137678

3,4-Difluoro-2-methylbenzoic acid

C8H6F2O2

HCID66598795

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)N2CCn3c(nnc3-c3ncns3)C2)ccc(F)c1F

HCID66599041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-effdf7b56ce74cbf968a58e680249b61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:65][CH2:66][Cl:67].[F:1][c:2]1[c:3]([CH3:12])[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[s:46]1[n:47][cH:48][n:49][c:50]1-[c:51]1[n:52][n:53][c:54]2[n:55]1[CH2:56][CH2:57][NH:58][CH2:59]2>>[F:1][c:2]1[c:3]([CH3:12])[c:4]([C:5](=[O:7])[N:58]2[CH2:57][CH2:56][n:55]3[c:51](-[c:50]4[s:46][n:47][cH:48][n:49]4)[n:52][n:53][c:54]3[CH2:59]2)[cH:8][cH:9][c:10]1[F:11]