HRID126007

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

HCID11693994

5-fluoro-1H-indole-7-carboxylic Acid

C9H6FNO2

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

HCID68560440

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)c2cc(F)cc3cc[nH]c23)cc1

HCID86603126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a799d6eddec4264973dd21f5d448d5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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