HRID174267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

结构：COc1nc(-c2cccc(C(F)(F)F)c2)cc(C)c1C(=O)O

HCID57441137

未命名化合物

PRODUCTS

生成物

结构：COc1nc(-c2cccc(C(F)(F)F)c2)cc(C)c1C(=O)N1CCC(N2CCCC2)CC1

HCID57441138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1044be6dd7844e3c852d1af1db337803
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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