HRID2337947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8018

2-Methoxyethylamine

C3H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)O

HCID67265296

未命名化合物

PRODUCTS

生成物

结构：COCCNC(=O)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C

HCID57786635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613c3adfd5c44e37a7f09fd2f7466710
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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