HRID96067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

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+

HCID19902652

2,2-Difluoro-1,3-propanediamine

C3H8F2N2

结构：O=C(O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1

HCID22019056

未命名化合物

PRODUCTS

生成物

结构：NCC(F)(F)CNC(=O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1

HCID22019140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-951c55528d4240d296a8feceebd54cf4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:75][CH2:76][Cl:77].[F:1][c:2]1[c:3]([NH:11][CH2:12][c:13]2[cH:14][n:15][c:16]([NH:18][c:19]3[n:20][cH:21][cH:22][cH:23][cH:24]3)[s:17]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[F:49][C:50]([CH2:51][NH2:52])([CH2:53][NH2:54])[F:55].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[F:1][c:2]1[c:3]([NH:11][CH2:12][c:13]2[cH:14][n:15][c:16]([NH:18][c:19]3[n:20][cH:21][cH:22][cH:23][cH:24]3)[s:17]2)[cH:4][c:5]([C:6](=[O:8])[NH:54][CH2:53][C:50]([F:49])([CH2:51][NH2:52])[F:55])[cH:9][cH:10]1