HRID2138516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2777972

3,3,3-Trifluoropropionic acid

C3H3F3O2

HCID4641409

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

C10H15N6O+

HCID16765172

2-Phenyl-1-benzofuran-5-amine

C14H11NO

PRODUCTS

生成物

结构：O=C(CC(F)(F)F)Nc1ccc2oc(-c3ccccc3)cc2c1

HCID67331064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97b7056d94ab468cbfdbc284e5b98977
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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