HRID120650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2F)CC(=O)N1

HCID68827120

未命名化合物

HCID178507360

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)C(c2ccc(C(F)(F)F)cc2F)CC(=O)N1

HCID178429243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e671753d70694911ba0f0e81008de986
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

[CH2:34]([Cl:35])[CH2:36][Cl:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[ClH:56].[F:1][c:2]1[c:3]([CH:12]2[C:13]([C:20](=[O:21])[OH:22])=[C:14]([CH3:19])[NH:15][C:16](=[O:18])[CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[NH2:23][c:24]1[cH:25][c:26]2[c:27]([Cl:33])[n:28][nH:29][c:30]2[cH:31][cH:32]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[F:1][c:2]1[c:3]([CH:12]2[C:13]([C:20](=[O:22])[NH:23][c:24]3[cH:25][c:26]4[c:27]([Cl:33])[n:28][nH:29][c:30]4[cH:31][cH:32]3)=[C:14]([CH3:19])[NH:15][C:16](=[O:18])[CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1