HRID2145227

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

HCID181450

5-Chloropyrazinamide

C5H4ClN3O

结构：CC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(O)cc1

HCID59729945

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(Oc2cnc(C(N)=O)cn2)cc1

HCID59730363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2935607ccb1247279ca9e5ec112e00c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([N:17]([CH2:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][c:27]1[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]1)=[O:34].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[NH2:10])[n:6][cH:7]1.[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[c:2]1([O:33][c:30]2[cH:29][cH:28][c:27]([CH2:26][N:17]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:34])[CH2:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:32][cH:31]2)[n:3][cH:4][c:5]([C:8](=[O:9])[NH2:10])[n:6][cH:7]1