HRID1201436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2782165

6-Chloropyridine-3-carbonyl chloride

C6H3Cl2NO

结构：CC(C)(C)CC1CNC(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID67095372

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1CN(C(=O)c2ccc(Cl)nc2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID75632056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d545edbc36f14ebbb4516328af959d03
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

[CH3:38][N:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][n:45]1)[CH3:46].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[NH:9][CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:47][c:48]1[n:49][cH:50][c:51]([C:52](=[O:53])[Cl:54])[cH:55][cH:56]1.[Cl:57][CH2:58][Cl:59]>>[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[N:9]([C:52]([c:51]3[cH:50][n:49][c:48]([Cl:47])[cH:56][cH:55]3)=[O:53])[CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1