HRID1235832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID3763901

4-(2,2,2-trifluoroethoxy)benzoic acid

C9H7F3O3

HCID4641409

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

C10H15N6O+

HCID58550727

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC2(CC1)Oc1ccccc1-n1cccc12

HCID58551056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81247b1263bf42d18b9a3ec05ea2de6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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