HRID2125451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

2 次

HCID19660

Carbonate

CO3-2

HCID23381

Benzonitrile, m-bromo-

C7H4BrN

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CCN(Cc2cccc(B(O)O)c2)CC1

HCID42609723

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc(C#N)c3)c2)CC1

HCID57736697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fec175b15e21487abb7b35dad8f83870
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

[Br:24][c:25]1[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][c:17]([B:21]([OH:22])[OH:23])[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[K+:37].[K+:38].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:39].[OH2:46]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][c:17](-[c:25]3[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]3)[cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1