HRID2345852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID27099

Copper(2+)

Cu+2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID59346476

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(Nc2ncnc3c2CN(c2ccccc2)CC3)cc1

HCID59346458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8af9f583509d47c6896e9787f4077249
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

[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cu+2:47].[OH:22][B:23]([OH:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[n:1]1[cH:2][n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[c:5]2[c:6]1[CH2:7][CH2:8][NH:9][CH2:10]2>>[n:1]1[cH:2][n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[c:5]2[c:6]1[CH2:7][CH2:8][N:9]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:10]2