HRID172516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2782689

4-(4-Fluorophenyl)benzoic acid

C13H9FO2

HCID4641409

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

C10H15N6O+

HCID68771730

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1CCN(c2nc3cc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

HCID76601343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e82527e259624239b313a25c09818ad9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][c:14]([NH2:17])[cH:15][cH:16]3)[CH2:6][CH2:7]1)[CH3:18].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:68][CH2:69][Cl:70].[F:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[cH:24][cH:25]1.[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>>[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][c:14]([NH:17][C:30]([c:29]2[cH:28][cH:27][c:26](-[c:23]4[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]4)[cH:34][cH:33]2)=[O:31])[cH:15][cH:16]3)[CH2:6][CH2:7]1)[CH3:18]