HRID214404

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

HCID2734610

2-Cyanophenylboronic acid

C7H6BNO2

结构：O=C(NCc1cccnc1)c1ccc(Cl)nc1NCCc1cccc(F)c1

HCID59738223

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccccc1-c1ccc(C(=O)NCc2cccnc2)c(NCCc2cccc(F)c2)n1

HCID57542525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe7cecf785b6455ea40083570e869ba8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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