HRID2339734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID31275

1,4-Dioxane

C4H8O2

HCID4641409

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

C10H15N6O+

HCID22252233

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccc(F)cc3)nc12

HCID22252260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efcf9280c4d5449090016c23d93a154e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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