HRID96241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID45116207

1-(5-Fluoropyridin-3-yl)methanamine

C6H7FN2

结构：CCOC(=O)c1ccc2c(C(=O)O)c(C(C)C)n(Cc3ccccc3)c2c1

HCID59762360

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1

HCID59762375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13f303ee39f54a818ed1603348122628
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:25]([CH3:26])[CH3:27])[c:10]([C:22](=[O:23])[OH:24])[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:15][c:16]12.[CH2:28]([Cl:29])[CH2:30][Cl:31].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:41][CH2:42][Cl:43].[F:32][c:33]1[cH:34][c:35]([CH2:39][NH2:40])[cH:36][n:37][cH:38]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:25]([CH3:26])[CH3:27])[c:10]([C:22](=[O:24])[NH:40][CH2:39][c:35]2[cH:34][c:33]([F:32])[cH:38][n:37][cH:36]2)[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:15][c:16]12