HRID687884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID178426173

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2n1

HCID178426174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43b47d55a1094d60974e28446d83b02d
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]2[cH:5][cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][c:9]2[cH:10][cH:11]1.[C:20](#[N:21])[c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:39]([OH:40])([CH3:41])[CH3:42].[K+:36].[K+:37].[K+:38].[P:31]([O-:32])([O-:33])([O-:34])=[O:35]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([C:20]#[N:21])[cH:27][cH:26]2)[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][c:9]2[cH:10][cH:11]1