HRID154053

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

HCID24290

未命名化合物

HCID27284

Fe +2 ion

Fe+2

HCID2734610

2-Cyanophenylboronic acid

C7H6BNO2

HCID59744990

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1

HCID59744986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-615619fd47e04b75916a3d6f9ac0b6f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:23](#[N:24])[c:25]1[c:26]([B:31]([OH:32])[OH:33])[cH:27][cH:28][cH:29][cH:30]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]([NH:13][CH2:14][CH2:15][c:16]2[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]2)[cH:12]1.[Fe+2:84].[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[Pd:45]([Cl:46])[Cl:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c-:59]2[cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c-:77]2[cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83]1>>[c:2]1(-[c:26]2[c:25]([C:23]#[N:24])[cH:30][cH:29][cH:28][cH:27]2)[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]([NH:13][CH2:14][CH2:15][c:16]2[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]2)[cH:12]1