HRID810281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID19660

Carbonate

CO3-2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID88707

5-Bromonicotinic acid

C6H4BrNO2

反应SMILES：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)nn2c1

HCID68985382

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)c3cncc(Br)c3)nn2c1

HCID57749198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a003f33b35284821a3e862bb5198f806
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Br:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[OH:10])[cH:5][n:6][cH:7]1.[C:49](=[O:50])([O-:51])[O-:52].[C:55](=[O:56])([O-:57])[OH:58].[CH3:76][OH:77].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[K+:53].[K+:54].[NH2:17][c:18]1[n:19][n:20]2[c:21]([cH:22][cH:23][c:24]([O:26][c:27]3[cH:28][c:29]([NH:34][C:35]([c:36]4[cH:37][c:38]([C:42]([CH3:43])([CH3:44])[C:45]#[N:46])[cH:39][cH:40][cH:41]4)=[O:47])[cH:30][cH:31][c:32]3[CH3:33])[cH:25]2)[n:48]1.[Na+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:78].[cH:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1>>[Br:1][c:2]1[cH:3][c:4]([C:8](=[O:10])[NH:17][c:18]2[n:19][n:20]3[c:21]([cH:22][cH:23][c:24]([O:26][c:27]4[cH:28][c:29]([NH:34][C:35]([c:36]5[cH:37][c:38]([C:42]([CH3:43])([CH3:44])[C:45]#[N:46])[cH:39][cH:40][cH:41]5)=[O:47])[cH:30][cH:31][c:32]4[CH3:33])[cH:25]3)[n:48]2)[cH:5][n:6][cH:7]1