HRID1552943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID616283

4-(4-Bromophenyl)pyridine

C11H8BrN

结构：CC(C)CC(OC(c1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)NCC#N

HCID178447019

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(OC(c1ccccc1)c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)C(=O)NCC#N

HCID178447023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8e83f531eed40c8a9b025f131584a5a
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:35][c:36]1[cH:37][cH:38][c:39](-[c:42]2[cH:43][cH:44][n:45][cH:46][cH:47]2)[cH:40][cH:41]1.[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[O:11][CH:12]([c:13]1[cH:14][cH:15][c:16]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:17][cH:18]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:34].[K+:48].[K+:49].[Na+:58].[O-:50][C:51]([O-:52])=[O:53].[O-:54][C:55]([OH:56])=[O:57].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[C:1](#[N:2])[CH2:3][NH:4][C:5]([CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[O:11][CH:12]([c:13]1[cH:14][cH:15][c:16](-[c:36]2[cH:37][cH:38][c:39](-[c:42]3[cH:43][cH:44][n:45][cH:46][cH:47]3)[cH:40][cH:41]2)[cH:17][cH:18]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:34]