HRID1538992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID21279853

2-(3-Amino-1H-pyrazol-1-yl)ethan-1-ol

C5H9N3O

结构：O=C(O)C(CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O

HCID70945342

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccn(CCO)n1)C(CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O

HCID70945109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a03febe7ed774829b9da28447bd02549
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:48]([Cl:49])[Cl:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[N:11]2[C:12](=[O:24])[c:13]3[cH:14][cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[c:18]3[CH2:19]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:25][C:26]([C:27]([Cl:28])=[O:29])=[O:30].[NH2:31][c:32]1[n:33][n:34]([CH2:37][CH2:38][OH:39])[cH:35][cH:36]1.[n:40]1[c:41]([CH3:42])[cH:43][cH:44][cH:45][c:46]1[CH3:47]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:31][c:32]2[n:33][n:34]([CH2:37][CH2:38][OH:39])[cH:35][cH:36]2)[N:11]2[C:12](=[O:24])[c:13]3[cH:14][cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[c:18]3[CH2:19]2)[CH2:2][CH2:3][CH2:4][CH2:5]1