HRID1568738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID521099

3,5-Bis(trifluoromethyl)benzylamine

C9H7F6N

HCID86626747

未命名化合物

PRODUCTS

生成物

结构：CCN(CCOC)c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86626748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c623cb69d5f842a6afc2be7702cedc9f
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

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