HRID698517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCNc2cc(Cl)ccc21

HCID59003177

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCCC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2ccc(Cl)cc21

HCID59003196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-657782a96bed4b38a9f9bc21074affc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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