HRID201977

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

HCID4641409

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

C10H15N6O+

HCID28411689

未命名化合物

HCID58447740

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(F)c4)nc3)nc2)CC1

HCID46927366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7864c5f8f7a445c2a33479f9665fa57a
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:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[F:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:14][C:15](=[O:16])[OH:17])[cH:12][cH:13]2)[cH:7]1.[NH2:18][c:19]1[cH:20][cH:21][c:22]([N:25]2[CH2:26][CH2:27][N:28]([C:31]([CH3:32])=[O:33])[CH2:29][CH2:30]2)[cH:23][n:24]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[F:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][c:11]([CH2:14][C:15](=[O:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([N:25]4[CH2:26][CH2:27][N:28]([C:31]([CH3:32])=[O:33])[CH2:29][CH2:30]4)[cH:23][n:24]3)[cH:12][cH:13]2)[cH:7]1