HRID289128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID98070

3-(4-Fluorophenyl)-2-propenoic acid

C9H7FO2

HCID21991731

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C=Cc1ccc(F)cc1)c1cccc(N2CCN(c3ccccn3)CC2)c1

HCID69591788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eacb7eb54b1449398c996080c997e93d
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

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