HRID2141979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108

3-Pyridineacetic acid

C7H7NO2

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID68749214

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1cccnc1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1

HCID68754632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f2e82ca1f754002a2fe5f942f0590a2
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

[CH3:18][N:19]([CH3:20])[CH:21]=[O:22].[Cl:12][C:13]([C:14]([Cl:15])=[O:16])=[O:17].[Cl:44][CH2:45][Cl:46].[ClH:1].[F:23][C:24]([O:25][c:26]1[cH:27][cH:28][c:29](-[c:32]2[c:33]([NH2:41])[n:34][n:35]3[c:36]2[n:37][cH:38][cH:39][cH:40]3)[cH:30][cH:31]1)([F:42])[F:43].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[n:2]1[cH:3][c:4]([CH2:8][C:9](=[O:10])[OH:11])[cH:5][cH:6][cH:7]1>>[n:2]1[cH:3][c:4]([CH2:8][C:9](=[O:11])[NH:41][c:33]2[c:32](-[c:29]3[cH:28][cH:27][c:26]([O:25][C:24]([F:23])([F:42])[F:43])[cH:31][cH:30]3)[c:36]3[n:35]([n:34]2)[cH:40][cH:39][cH:38][n:37]3)[cH:5][cH:6][cH:7]1