HRID700622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CC(C#N)(Cn1nc2cc(Cl)cc(Br)c2n1)NC(=O)c1ccc(OC(F)(F)F)cc1

HCID66620042

未命名化合物

PRODUCTS

生成物

结构：CC(C#N)(Cn1nc2cc(Cl)cc(-c3ccc(C(F)(F)F)cc3)c2n1)NC(=O)c1ccc(OC(F)(F)F)cc1

HCID86625573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fd36d44ee6841bb95965f2849d1c35a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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