HRID120682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10008

Fluorobenzene

C6H5F

HCID11719

Methylurea

C2H6N2O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CS(=O)(=O)c1ccc(C(=CC2CCCCC2)C(=O)O)cc1C(F)(F)F

HCID67483084

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)NC(=O)C(=CC1CCCCC1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

HCID67483185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81b4ab24c2d443308b811163ca3af47d
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

[CH3:32][NH:33][C:34](=[O:35])[NH2:36].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:1]1([CH:7]=[C:8]([C:9](=[O:10])[OH:11])[c:12]2[cH:13][c:14]([C:22]([F:23])([F:24])[F:25])[c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[ClH:43].[F:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH:1]1([CH:7]=[C:8]([C:9](=[O:11])[NH:36][C:34]([NH:33][CH3:32])=[O:35])[c:12]2[cH:13][c:14]([C:22]([F:23])([F:24])[F:25])[c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1