HRID179002

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

HCID351291

5-Nitroindole-2-carboxylic acid

C9H6N2O4

HCID4641409

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

C10H15N6O+

HCID59451405

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(Cl)cc(Oc2cc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2Cl)c1

HCID59451468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9609fecb2997454aaac965e2fa477e33
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

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