HRID88484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID10008

Fluorobenzene

C6H5F

HCID11719

Methylurea

C2H6N2O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cc1nnnn1-c1ccc(C(CC2CCCC2)C(=O)O)cc1C(F)(F)F

HCID12019648

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)NC(=O)C(CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1

HCID10224176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d5f8b61381e4a79b0d8baa00d1e2884
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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