HRID101779

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(Cl)cc2F)CC(=O)N1

HCID68826057

未命名化合物

HCID178507203

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2cc3c(Cl)n[nH]c3cc2F)C(c2ccc(Cl)cc2F)CC(=O)N1

HCID178429202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71d424617bba40f298434d78549f3fd1
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

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