HRID125786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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+

HCID7017747

1,5-dimethyl-1H-pyrazol-3-amine

C5H9N3

HCID59127142

3-(Benzyloxy)-5-[(1,3-difluoropropan-2-yl)oxy]benzoic acid

C17H16F2O4

PRODUCTS

生成物

结构：Cc1cc(NC(=O)c2cc(OCc3ccccc3)cc(OC(CF)CF)c2)nn1C

HCID53629673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5bf686148284ff7882df2ad4ca69870
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:24][n:25]1[n:26][c:27]([NH2:31])[cH:28][c:29]1[CH3:30].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[F:1][CH2:2][CH:3]([CH2:4][F:5])[O:6][c:7]1[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][c:14]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[F:1][CH2:2][CH:3]([CH2:4][F:5])[O:6][c:7]1[cH:8][c:9]([C:10](=[O:12])[NH:31][c:27]2[n:26][n:25]([CH3:24])[c:29]([CH3:30])[cH:28]2)[cH:13][c:14]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15]1