HRID183151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID12870

2-Amino-5-chlorobenzophenone

C13H10ClNO

结构：CC(C)(C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID9835948

2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid

C12H10F6O2

PRODUCTS

生成物

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1C(=O)c1ccccc1

HCID9914870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-552ff42cee6343afa4c64c5a01d13842
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[Cl:52][CH2:53][CH2:54][Cl:55].[F:17][C:18]([c:19]1[cH:20][c:21]([C:29]([C:30](=[O:31])[OH:32])([CH3:33])[CH3:34])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:35])[F:36].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([Cl:16])[cH:14][cH:15]1>>[N:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[cH:12][c:13]([Cl:16])[cH:14][cH:15]1)([C:30]([C:29]([c:21]1[cH:20][c:19]([C:18]([F:17])([F:35])[F:36])[cH:24][c:23]([C:25]([F:26])([F:27])[F:28])[cH:22]1)([CH3:33])[CH3:34])=[O:31])[CH3:37]