HRID1207268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6332

Bromoethane

C2H5Br

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(O)Cc1nc(-c2ccc(Cl)cc2)oc1Oc1ccc(Cl)cc1

HCID20385668

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1Oc1ccc(Cl)cc1

HCID3052091

4-Oxazoleacetic acid, 5-(4-chlorophenoxy)-2-(4-chlorophenyl)-, ethyl ester

C19H15Cl2NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3358d90688a489daa0e01d54273fe14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:25]([CH3:26])[Br:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([O:17][c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:11]([CH2:13][C:14](=[O:15])[OH:16])[n:12]2)[cH:6][cH:7]1.[OH2:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([O:17][c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[c:11]([CH2:13][C:14](=[O:15])[O:16][CH2:25][CH3:26])[n:12]2)[cH:6][cH:7]1