HRID1537665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID7010420

4-Bromo-2-chlorobenzonitrile

C7H3BrClN

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID59206198

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C#N)c(Cl)c1

HCID59206094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da75598eb0044eb4a9ac55f93db29e54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:32][c:33]1[cH:34][c:35]([Cl:41])[c:36]([C:37]#[N:38])[cH:39][cH:40]1.[C:42](=[O:43])([O-:44])[O-:45].[K+:46].[K+:47].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([B:23]4[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]4)[c:19]([CH3:22])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18](-[c:33]4[cH:34][c:35]([Cl:41])[c:36]([C:37]#[N:38])[cH:39][cH:40]4)[c:19]([CH3:22])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2