HRID1574492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID67164

Thiamorpholine

C4H9NS

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)C1CC(c2ccc(C(F)(F)F)c(F)c2)CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1

HCID58116559

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(c2ccc(C(F)(F)F)c(F)c2)CN(C(=O)N2CCSCC2)C1

HCID58116478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f8d05c74e544c64b261767b9c0fd210
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:34]1[CH2:35][S:36][CH2:37][CH2:38][NH:39]1.[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[F:1][c:2]1[cH:3][c:4]([CH:12]2[CH2:13][CH:14]([C:30](=[O:31])[O:32][CH3:33])[CH2:15][N:16]([C:18]([O:20][c:19]3[cH:21][cH:22][c:23]([N+:24]([O-:25])=[O:26])[cH:27][cH:28]3)=[O:29])[CH2:17]2)[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[OH2:62]>>[F:1][c:2]1[cH:3][c:4]([CH:12]2[CH2:13][CH:14]([C:30](=[O:31])[O:32][CH3:33])[CH2:15][N:16]([C:18](=[O:20])[N:39]3[CH2:34][CH2:35][S:36][CH2:37][CH2:38]3)[CH2:17]2)[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]