HRID188361

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

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

HCID4641409

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

C10H15N6O+

HCID59127142

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

C17H16F2O4

PRODUCTS

生成物

结构：Cn1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OC(CF)CF)c2)n1

HCID53629636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04512b531b48435592289416678005cb
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:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[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.[NH2:24][c:25]1[n:26][n:27]([CH3:30])[cH:28][cH:29]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]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:24][c:25]2[n:26][n:27]([CH3:30])[cH:28][cH:29]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