HRID193354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6341

Ethanamine

C2H7N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID160435

Methanediimine

CH2N2

结构：O=C(O)CNCCCn1c(-c2ccc(N3CCOCC3)cc2)csc1=Nc1ccc(F)cc1

HCID22350973

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)CNCCCn1c(-c2ccc(N3CCOCC3)cc2)csc1=Nc1ccc(F)cc1

HCID20815578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7897260dcda94c04aebd5dec8e11f64d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:35]([CH3:36])[NH2:37].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:50][CH2:51][Cl:52].[ClH:34].[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[c:9]2[s:10][cH:11][c:12](-[c:22]3[cH:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][cH:27]3)[n:13]2[CH2:14][CH2:15][CH2:16][NH:17][CH2:18][C:19](=[O:20])[OH:21])[cH:6][cH:7]1.[NH:47]=[C:48]=[NH:49]>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[c:9]2[s:10][cH:11][c:12](-[c:22]3[cH:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][cH:27]3)[n:13]2[CH2:14][CH2:15][CH2:16][NH:17][CH2:18][C:19](=[O:21])[NH:37][CH2:35][CH3:36])[cH:6][cH:7]1