HRID801118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID76980

1-(2-Hydroxyethyl)pyrrolidin-2-one

C6H11NO2

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1cc2c(CN(C)C)cn(Cc3ccc(F)cc3)c2cn1

HCID59855831

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2c(COCCN3CCCC3=O)cn(Cc3ccc(F)cc3)c2cn1

HCID69198649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-656fa7db4ef14b19891a399fa9447869
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH:46]([CH3:47])[CH3:48])[CH3:49].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][n:7]([CH2:18][c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:8]2[cH:9][n:10][c:11]([C:14](=[O:15])[O:16][CH3:17])[cH:12][c:13]12.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:26][C:27]([O:28][CH2:29][CH3:30])=[O:31].[Cl:50][CH2:51][Cl:52].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:32][CH2:33][CH2:34][N:35]1[C:36](=[O:40])[CH2:37][CH2:38][CH2:39]1>>[CH2:4]([c:5]1[cH:6][n:7]([CH2:18][c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:8]2[cH:9][n:10][c:11]([C:14](=[O:15])[O:16][CH3:17])[cH:12][c:13]12)[O:32][CH2:33][CH2:34][N:35]1[C:36](=[O:40])[CH2:37][CH2:38][CH2:39]1