HRID196022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID5787

2,4-Dichlorobenzoic acid

C7H4Cl2O2

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+

HCID66598795

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ncns2)C1

HCID66599560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f56ff39151224c0cbbc7808f9d0bfa46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([Cl:41])[cH:42][c:43]1[Cl:44].[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.[s:45]1[n:46][cH:47][n:48][c:49]1-[c:50]1[n:51][n:52][c:53]2[n:54]1[CH2:55][CH2:56][NH:57][CH2:58]2>>[C:35](=[O:36])([c:37]1[cH:38][cH:39][c:40]([Cl:41])[cH:42][c:43]1[Cl:44])[N:57]1[CH2:56][CH2:55][n:54]2[c:50](-[c:49]3[s:45][n:46][cH:47][n:48]3)[n:51][n:52][c:53]2[CH2:58]1