HRID1215476

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

HCID123572

3,4-Difluorobenzylamine

C7H7F2N

结构：COc1cc2c(C(=O)O)c(C(C)C)n(Cc3ccccc3)c2cn1

HCID44608609

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2cn1

HCID44608446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dce13752002b4e718f053527ad7d36b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:22]([CH3:23])[CH3:24])[c:10]([C:19](=[O:20])[OH:21])[c:11]2[c:12]1[cH:13][n:14][c:15]([O:17][CH3:18])[cH:16]2.[CH2:35]([Cl:36])[CH2:37][Cl:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[Cl:46][CH2:47][Cl:48].[F:25][c:26]1[cH:27][c:28]([CH2:29][NH2:30])[cH:31][cH:32][c:33]1[F:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:22]([CH3:23])[CH3:24])[c:10]([C:19](=[O:20])[NH:30][CH2:29][c:28]2[cH:27][c:26]([F:25])[c:33]([F:34])[cH:32][cH:31]2)[c:11]2[c:12]1[cH:13][n:14][c:15]([O:17][CH3:18])[cH:16]2