HRID1232027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

HCID4641409

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

C10H15N6O+

HCID66583857

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCc1ccc(F)cc1

HCID56847882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-676a91c1b9904b4783c9a91e5c0da00b
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

[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:34][c:35]1[c:36]([C:52](=[O:53])[OH:54])[c:37]([CH2:49][CH2:50][CH3:51])[n:38][c:39]2[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43][c:44]12.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH3:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9]1.[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:52]([c:36]2[c:35]([CH3:34])[c:44]3[c:39]([n:38][c:37]2[CH2:49][CH2:50][CH3:51])[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43]3)=[O:53])[cH:8][cH:9]1