HRID311436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

结构：CC(C)(C)c1ccc(CNCCc2cccc(C(F)(F)F)c2)cc1

HCID68560440

未命名化合物

HCID69346079

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2c(F)c(F)cc3cc[nH]c23)cc1

HCID86603130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ccd7b905a1c45f8862da065228e8e4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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