HRID2340538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

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+

HCID59451392

未命名化合物

HCID86644901

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cc(C=O)c3Cl)c2F)c1

HCID59451540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55d8b8eaa6cb4ab593b058ca8682af4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:70][C:71](=[O:72])[CH3:73].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:25][c:26]1[c:27]([C:33](=[O:34])[OH:35])[nH:28][cH:29][c:30]1[CH:31]=[O:32].[NH2:36][CH2:37][c:38]1[c:39]([F:55])[c:40]([O:45][c:46]2[cH:47][c:48]([C:49]#[N:50])[cH:51][c:52]([Cl:54])[cH:53]2)[c:41]([Cl:44])[cH:42][cH:43]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[c:27]([C:33](=[O:35])[NH:36][CH2:37][c:38]2[c:39]([F:55])[c:40]([O:45][c:46]3[cH:47][c:48]([C:49]#[N:50])[cH:51][c:52]([Cl:54])[cH:53]3)[c:41]([Cl:44])[cH:42][cH:43]2)[nH:28][cH:29][c:30]1[CH:31]=[O:32]